Vitas-M small molecule compound
methyl (5E)-1-(4-chlorophenyl)-2-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL296479
SMILES COC(=O)C1=C(C)N(/C(=C/c2cccs2)/C1=O)c1ccc(cc1)Cl
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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 C18H14ClNO3S MW 359.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClNO3S/c1-11-16(18(22)23-2)17(21)15(10-14-4-3-9-24-14)20(11)13-7-5-12(19)6-8-13/h3-10H,1-2H3/b15-10+InChIKey
AUSRNKVHPZSTFD-XNTDXEJSSA-NSynonyms
(E)methyl1(4chlorophenyl)2methyl4oxo5(thiophen2ylmethylene)45dihydro1Hpyrrole3carboxylate
CC1=C(C(=O)C(=CC2=CC=CS2)N1C3=CC=C(C=C3)Cl)C(=O)OC
COC(=O)C1=C(C)N(C(=Cc2cccs2)C1=O)c1ccc(cc1)Cl
InChI=1SC18H14ClNO3Sc11116(18(22)232)17(21)15(10144392414)20(11)137512(19)6813h310H12H3b1510+
methyl(5E)1(4chlorophenyl)2methyl4oxo5(thiophen2ylmethylidene)45dihydro1Hpyrrole3carboxylate
methyl(5E)1(4chlorophenyl)2methyl4oxo5(thiophen2ylmethylidene)pyrrole3carboxylate
MFCD02985128
ZINC000018028791
ZINC18028791
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