Vitas-M small molecule compound
methyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK563423
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccc(cc2)Cl)\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 C28H21ClN2O6S MW 549.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O6S/c1-3-37-19-12-13-20-21(14-19)38-28(30-20)31-23(15-4-6-17(7-5-15)27(35)36-2)22(25(33)26(31)34)24(32)16-8-10-18(29)11-9-16/h4-14,23,32H,3H2,1-2H3/b24-22+InChIKey
GRMNGARPKSKEOI-ZNTNEXAZSA-NSynonyms
514193-16-9514193169
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)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)Cl)O)C(=O)C1=O
InChI=1SC28H21ClN2O6Sc13371912132021(1419)3828(3020)3123(154617(7515)27(35)362)22(25(33)26(31)34)24(32)1681018(29)11916h4142332H3H212H3b2422+
methyl4((3E)3((4chlorophenyl)(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((4CHLOROPHENYL)CARBONYL)1(6ETHOXYBENZOTHIAZOL2YL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD03795246
ZINC000102520396
ZINC000102520403
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.