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-8-[(4-methylphenyl)amino]-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 4-met
Catalog ID
STL558181
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(cc2)C)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)Nc1ccc(cc1)C
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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 C52H58N2O13 MW 919.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H58N2O13/c1-25-15-19-34(20-16-25)51(62)66-47-32(8)48-39-37-38(47)45(59)41(40(44(37)58)53-35-21-17-26(2)18-22-35)54-50(61)28(4)14-12-13-27(3)42(56)30(6)43(57)31(7)46(65-33(9)55)29(5)36(63-11)23-24-64-52(10,67-48)49(39)60/h12-24,27,29-31,36,42-4InChIKey
ZIYPSJOHPCMRHG-YGTIUORKSA-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))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl26(4methylanilino)6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4methylbenzo
43915174
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)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)Nc1ccc(cc1)C
InChI=1SC52H58N2O13c125151934(201625)51(62)664732(8)48393738(47)45(59)41(40(44(37)58)5335211726(2)182235)5450(61)28(4)14121327(3)42(56)30(6)43(57)31(7)46(6533(9)55)29(5)36(6311)23246452(106748)49(39)60h122427293136424346535657H111H3(H5461)b1312242328
ZINC000254617586
Check stock
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Check stock on Vitas-MAvailable files
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