Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(pyrrolidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2,4-dichlor
Catalog ID
STL558166
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2Cl)Cl)NC(=O)/C(=C\C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)N1CCCC1
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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 C48H54Cl2N2O13 MW 937.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H54Cl2N2O13/c1-22-13-12-14-23(2)46(59)51-36-37(52-18-10-11-19-52)41(57)33-34(40(36)56)43(64-47(60)30-16-15-29(49)21-31(30)50)27(6)44-35(33)45(58)48(8,65-44)62-20-17-32(61-9)24(3)42(63-28(7)53)26(5)39(55)25(4)38(22)54/h12-17,20-22,24-26,32,38-3InChIKey
MYYDPDJZNFLXAP-WFLMYGDUSA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26pyrrolidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)24dichlorobenzo
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(pyrrolidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl24dichlor
43915155
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2Cl)Cl)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C)N1CCCC1
InChI=1SC48H54Cl2N2O13c12213121423(2)46(59)513637(521810111952)41(57)3334(40(36)56)43(6447(60)30161529(49)2131(30)50)27(6)4435(33)45(58)48(86544)62201732(619)24(3)42(6328(7)53)26(5)39(55)25(4)38(22)54h121720222426323839425455H10111819H219H3(H5159)b13
ZINC000254483782
Check stock
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Check stock on Vitas-MAvailable files
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