Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22S,23S,24E)-17,19,21-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(piperidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2-chlorobenzoate
Catalog ID
STL528327
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)O)C)O)C)O)C)/C)N1CCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C47H55ClN2O12 MW 875.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H55ClN2O12/c1-23-15-14-16-24(2)45(57)49-35-36(50-20-12-9-13-21-50)41(55)32-33(40(35)54)42(61-46(58)29-17-10-11-18-30(29)48)28(6)43-34(32)44(56)47(7,62-43)60-22-19-31(59-8)25(3)38(52)27(5)39(53)26(4)37(23)51/h10-11,14-19,22-23,25-27,31,37-39,51InChIKey
RZXBGWPMHWRIBW-NNVHXDDVSA-NSynonyms
((7~(S)9~(E)11~(S)12~(S)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))131517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26piperidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)2chlorobenzoate
(2S12Z14E16S17S18R19S20S21S22S23S24E)171921trihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(piperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl2chlorobenzoate
16400531
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)O)C)O)C)O)C)C)N1CCCCC1
InChI=1SC47H55ClN2O12c12315141624(2)45(57)493536(5020129132150)41(55)3233(40(35)54)42(6146(58)291710111830(29)48)28(6)4334(32)44(56)47(76243)60221931(598)25(3)38(52)27(5)39(53)26(4)37(23)51h10111419222325273137395153H912132021H218H3(H4957)b1514+2219+
MFCD04077505
OIMINO)NAPHTHO(21B)FURAN5YL2CHLOROBENZOATE
ZINC000254708908
ZINC253387661
Check stock
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Check stock on Vitas-MAvailable files
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