Vitas-M small molecule compound
dimethyl 5-{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}benzene-1,3-dicarboxylate
Catalog ID
STL539838
SMILES COC(=O)c1cc(cc(c1)c1ccc(o1)C1CC(=O)Oc2c1c(O)c1c(c2)/C=C/CCCC(=O)CCCC(OC1=O)C)C(=O)OC
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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 C35H34O11 MW 630.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34O11/c1-19-8-7-11-24(36)10-6-4-5-9-20-17-28-31(32(38)30(20)35(41)44-19)25(18-29(37)46-28)27-13-12-26(45-27)21-14-22(33(39)42-2)16-23(15-21)34(40)43-3/h5,9,12-17,19,25,38H,4,6-8,10-11,18H2,1-3H3/b9-5+InChIKey
URAIEJCLWNUCPR-WEVVVXLNSA-NSynonyms
71755296
COC(=O)c1cc(cc(c1)c1ccc(o1)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C)C(=O)OC
dimethyl5(5((12~(E))22hydroxy4methyl2818trioxo317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraen20yl)furan2yl)benzene13dicarboxylate
dimethyl5(5((16E)5hydroxy8methyl2612trioxo3489101112131415decahydro2H6Hoxacyclotetradecino(34g)chromen4yl)furan2yl)benzene13dicarboxylate
dimethyl5(5((8SE)5hydroxy8methyl2612trioxo234689101112131415dodecahydro(1)oxacyclotetradecino(34g)chromen4yl)furan2yl)isophthalate
InChI=1SC35H34O11c119871124(36)10645920172831(32(38)30(20)35(41)4419)25(1829(37)4628)27131226(4527)211422(33(39)422)1623(1521)34(40)433h591217192538H468101118H213H3b95+
MFCD23136779
ZINC000263629903
ZINC001616183394
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.