Vitas-M small molecule compound
methyl 4-{5-[(16E)-5-hydroxy-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]furan-2-yl}benzoate
Catalog ID
STL539481
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)C1CC(=O)Oc2c1c(O)c1c(c2)/C=C/CCCC(=O)CCCC(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 C33H32O9 MW 572.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32O9/c1-19-7-6-10-23(34)9-5-3-4-8-22-17-27-30(31(36)29(22)33(38)40-19)24(18-28(35)42-27)26-16-15-25(41-26)20-11-13-21(14-12-20)32(37)39-2/h4,8,11-17,19,24,36H,3,5-7,9-10,18H2,1-2H3/b8-4+InChIKey
QZUUVFAQWFIIJB-XBXARRHUSA-NSynonyms
71754891
COC(=O)c1ccc(cc1)c1ccc(o1)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC33H32O9c119761023(34)9534822172730(31(36)29(22)33(38)4019)24(1828(35)4227)26161525(4126)20111321(141220)32(37)392h481117192436H35791018H212H3b84+
methyl4(5((12~(E))22hydroxy4methyl2818trioxo317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraen20yl)furan2yl)benzoate
methyl4(5((16E)5hydroxy8methyl2612trioxo3489101112131415decahydro2H6Hoxacyclotetradecino(34g)chromen4yl)furan2yl)benzoate
methyl4(5((8SE)5hydroxy8methyl2612trioxo234689101112131415dodecahydro(1)oxacyclotetradecino(34g)chromen4yl)furan2yl)benzoate
MFCD23136492
ZINC000254477772
ZINC001614471225
Check stock
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Check stock on Vitas-MAvailable files
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