Vitas-M small molecule compound
(2E)-N-[(3,4-dimethylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK148529
SMILES O=C(NC(=S)Nc1ccc(c(c1)C)C)/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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-12-6-8-15(10-13(12)2)19-18(25)20-17(22)9-7-14-4-3-5-16(11-14)21(23)24/h3-11H,1-2H3,(H2,19,20,22,25)/b9-7+InChIKey
VKWGHJSYCOSCON-VQHVLOKHSA-NSynonyms
(2E)N((34DIMETHYLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N((34DIMETHYLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O))C
InChI=1SC18H17N3O3Sc1126815(1013(12)2)1918(25)2017(22)971443516(1114)21(23)24h311H12H3(H219202225)b97+
MFCD03137927
O=C(NC(=S)Nc1ccc(c(c1)C)C)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001180543
ZINC01180543
ZINC1180543
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