Vitas-M small molecule compound
methyl (5E)-1-(4-bromophenyl)-2-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160038
SMILES COC(=O)C1=C(C)N(/C(=C/c2cccs2)/C1=O)c1ccc(cc1)Br
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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 C18H14BrNO3S MW 404.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrNO3S/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
SJKRVHHOTMYYNH-XNTDXEJSSA-NSynonyms
CC1=C(C(=O)C(=CC2=CC=CS2)N1C3=CC=C(C=C3)Br)C(=O)OC
COC(=O)C1=C(C)N(C(=Cc2cccs2)C1=O)c1ccc(cc1)Br
InChI=1SC18H14BrNO3Sc11116(18(22)232)17(21)15(10144392414)20(11)137512(19)6813h310H12H3b1510+
METHYL(5E)1(4BROMOPHENYL)2METHYL4OXO5(THIOPHEN2YLMETHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)1(4BROMOPHENYL)2METHYL4OXO5(THIOPHEN2YLMETHYLIDENE)PYRROLE3CARBOXYLATE
MFCD08671148
ZINC000018152460
ZINC18152460
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