Vitas-M small molecule compound
4-[(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]benzoic acid
Catalog ID
STL539551
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc(cc1)C(=O)O
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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 C28H28O8 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28O8/c1-16-6-5-9-20(29)8-4-2-3-7-19-14-22-25(26(31)24(19)28(34)35-16)21(15-23(30)36-22)17-10-12-18(13-11-17)27(32)33/h3,7,10-14,16,21,31H,2,4-6,8-9,15H2,1H3,(H,32,33)/b7-3+InChIKey
PXLRZTWYETUUBN-XVNBXDOJSA-NSynonyms
4((12~(E))22hydroxy4methyl2818trioxo317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraen20yl)benzoicacid
4((16E)5hydroxy8methyl2612trioxo3489101112131415decahydro2H6Hoxacyclotetradecino(34g)chromen4yl)benzoicacid
4((8SE)5hydroxy8methyl2612trioxo234689101112131415dodecahydro(1)oxacyclotetradecino(34g)chromen4yl)benzoicacid
71754910
InChI=1SC28H28O8c11665920(29)8423719142225(26(31)24(19)28(34)3516)21(1523(30)3622)17101218(131117)27(32)33h371014162131H2468915H21H3(H3233)b73+
MFCD23136503
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc(cc1)C(=O)O
ZINC000254824956
ZINC001614471223
Check stock
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Check stock on Vitas-MAvailable files
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