Vitas-M small molecule compound
methyl 2-{2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK818642
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)/C=C/c1ccccc1
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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 C25H19ClN2O5S MW 494.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O5S/c1-14-22(24(32)33-2)34-25(27-14)28-20(16-9-11-17(26)12-10-16)19(21(30)23(28)31)18(29)13-8-15-6-4-3-5-7-15/h3-13,20,30H,1-2H3/b13-8+InChIKey
WQDMIDNEBFYGIL-MDWZMJQESA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OC
COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)C=Cc1ccccc1
InChI=1SC25H19ClN2O5Sc11422(24(32)332)3425(2714)2820(1691117(26)121016)19(21(30)23(28)31)18(29)138156435715h3132030H12H3b138+
methyl2(2(4chlorophenyl)4hydroxy5oxo3((2E)3phenylprop2enoyl)25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
METHYL2(2(4CHLOROPHENYL)4HYDROXY5OXO3((E)3PHENYLPROP2ENOYL)2HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD04447965
ZINC000016736918
ZINC000016736920
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