Vitas-M small molecule compound
{2-[(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]phenoxy}acetic acid
Catalog ID
STL539348
SMILES OC(=O)COc1ccccc1C1CC(=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 C29H30O9 MW 522.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30O9/c1-17-8-7-11-19(30)10-4-2-3-9-18-14-23-27(28(34)26(18)29(35)37-17)21(15-25(33)38-23)20-12-5-6-13-22(20)36-16-24(31)32/h3,5-6,9,12-14,17,21,34H,2,4,7-8,10-11,15-16H2,1H3,(H,31,32)/b9-3+InChIKey
WGDQYZNWTBNEKJ-YCRREMRBSA-NSynonyms
(2((16E)5hydroxy8methyl2612trioxo3489101112131415decahydro2H6Hoxacyclotetradecino(34g)chromen4yl)phenoxy)aceticacid
2(2((12~(E))22hydroxy4methyl2818trioxo317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraen20yl)phenoxy)aceticacid
2(2((8SE)5hydroxy8methyl2612trioxo234689101112131415dodecahydro(1)oxacyclotetradecino(34g)chromen4yl)phenoxy)aceticacid
71754406
InChI=1SC29H30O9c117871119(30)10423918142327(28(34)26(18)29(35)3717)21(1525(33)3823)2012561322(20)361624(31)32h35691214172134H247810111516H21H3(H3132)b93+
MFCD22574740
OC(=O)COc1ccccc1C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
ZINC000254634569
ZINC001614471090
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