Vitas-M small molecule compound
methyl 4-[(8S,16E)-5-methoxy-8-methyl-2,6,12-trioxo-3,4,8,9,10,11,12,13,14,15-decahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-4-yl]benzoate
Catalog ID
STL538558
SMILES COC(=O)c1ccc(cc1)C1CC(=O)Oc2c1c(OC)c1c(c2)/C=C/CCCC(=O)CCC[C@@H](OC1=O)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 C30H32O8 MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32O8/c1-18-8-7-11-22(31)10-6-4-5-9-21-16-24-27(28(35-2)26(21)30(34)37-18)23(17-25(32)38-24)19-12-14-20(15-13-19)29(33)36-3/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/b9-5+/t18-,23?/m0/s1InChIKey
RSYHCRHKGOFAKK-XFSVYZGWSA-NSynonyms
71754206
COC(=O)c1ccc(cc1)C1CC(=O)Oc2c1c(OC)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC30H32O8c118871122(31)10645921162427(28(352)26(21)30(34)3718)23(1725(32)3824)19121420(151319)29(33)363h5912161823H468101117H213H3b95+t1823?m0s1
methyl4((4~(S)12~(E))22methoxy4methyl2818trioxo317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraen20yl)benzoate
methyl4((8S16E)5methoxy8methyl2612trioxo3489101112131415decahydro2H6Hoxacyclotetradecino(34g)chromen4yl)benzoate
methyl4((8SE)5methoxy8methyl2612trioxo234689101112131415dodecahydro(1)oxacyclotetradecino(34g)chromen4yl)benzoate
ZINC000254417398
ZINC000254417401
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