Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL149586
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-4-37-20-13-14-21-22(15-20)38-29(30-21)31-24(17-9-11-19(12-10-17)28(35)36-3)23(26(33)27(31)34)25(32)18-7-5-16(2)6-8-18/h5-15,24,32H,4H2,1-3H3/b25-23+InChIKey
FTUMCWGDCNYJDC-WJTDDFOZSA-NSynonyms
514192-83-7514192837
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)C)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
InChI=1SC29H24N2O6Sc14372013142122(1520)3829(3021)3124(1791119(121017)28(35)363)23(26(33)27(31)34)25(32)187516(2)6818h5152432H4H213H3b2523+
methyl4((3E)1(6ethoxy13benzothiazol2yl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(6ETHOXYBENZOTHIAZOL2YL)4HYDROXY3((4METHYLPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD03798995
ZINC000102929864
ZINC000102929865
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