Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK566068
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccc(cc2)OC)\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 C29H24N2O7S MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S/c1-4-38-20-13-14-21-22(15-20)39-29(30-21)31-24(16-5-7-18(8-6-16)28(35)37-3)23(26(33)27(31)34)25(32)17-9-11-19(36-2)12-10-17/h5-15,24,32H,4H2,1-3H3/b25-23+InChIKey
JPQKMYXDRMIGMI-WJTDDFOZSA-NSynonyms
514193-37-4514193374
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)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)OC)O)C(=O)C1=O
InChI=1SC29H24N2O7Sc14382013142122(1520)3929(3021)3124(165718(8616)28(35)373)23(26(33)27(31)34)25(32)1791119(362)121017h5152432H4H213H3b2523+
methyl4((3E)1(6ethoxy13benzothiazol2yl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(6ETHOXYBENZOTHIAZOL2YL)4HYDROXY3((4METHOXYPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD03795452
ZINC000102539301
ZINC000102539309
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