Vitas-M small molecule compound
(2E)-3-(3-nitrophenyl)-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK360140
SMILES O=C(NC(=S)Nc1ccccc1N1CCCC1)/C=C/c1cccc(c1)[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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c25-19(11-10-15-6-5-7-16(14-15)24(26)27)22-20(28)21-17-8-1-2-9-18(17)23-12-3-4-13-23/h1-2,5-11,14H,3-4,12-13H2,(H2,21,22,25,28)/b11-10+InChIKey
AWWGLQSTTOTKIT-ZHACJKMWSA-NSynonyms
532408-63-2(2E)3(3nitrophenyl)N((2(pyrrolidin1yl)phenyl)carbamothioyl)prop2enamide
(E)3(3nitrophenyl)N((2(pyrrolidin1yl)phenyl)carbamothioyl)acrylamide
(E)3(3NITROPHENYL)N((2PYRROLIDIN1YLPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
532408632
C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H20N4O3Sc2519(11101565716(1415)24(26)27)2220(28)2117812918(17)2312341323h1251114H341213H2(H221222528)b1110+
MFCD03567848
O=C(NC(=S)Nc1ccccc1N1CCCC1)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001128720
ZINC01128720
ZINC1128720
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