Vitas-M small molecule compound
2-bromo-N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK730222
SMILES S=C(NC(=O)c1ccccc1Br)Nc1cc(N2CCCC2)c(cc1C)[N+](=O)[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 C19H19BrN4O3S MW 463.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)InChIKey
NEDALNSRDOZBFG-UHFFFAOYSA-NSynonyms
(2BROMOPHENYL)N(((2METHYL4NITRO5PYRROLIDINYLPHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
2bromoN((2methyl4nitro5(pyrrolidin1yl)phenyl)carbamothioyl)benzamide
2BROMON((2METHYL4NITRO5PYRROLIDIN1YLPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=CC=C2Br)N3CCCC3)(N+)(=O)(O)
InChI=1SC19H19BrN4O3Sc1121017(24(26)27)16(23845923)1115(12)2119(28)2218(25)13623714(13)20h23671011H4589H21H3(H221222528)
MFCD02631968
S=C(NC(=O)c1ccccc1Br)Nc1cc(N2CCCC2)c(cc1C)(N+)(=O)(O)
ZINC000008857487
ZINC08857487
ZINC8857487
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