Vitas-M small molecule compound
(2E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
Catalog ID
STK328892
SMILES O=C(NC(=S)Nc1c(C)cc(cc1[N+](=O)[O-])C)/C=C/c1ccccc1
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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/c1-12-10-13(2)17(15(11-12)21(23)24)20-18(25)19-16(22)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,22,25)/b9-8+InChIKey
SUBZQZGATBYLFQ-CMDGGOBGSA-NSynonyms
412963-66-7(2E)N((24dimethyl6nitrophenyl)carbamothioyl)3phenylprop2enamide
(E)N((24DIMETHYL6NITROPHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
412963667
CC1=CC(=C(C(=C1)(N+)(=O)(O))NC(=S)NC(=O)C=CC2=CC=CC=C2)C
InChI=1SC18H17N3O3Sc1121013(2)17(15(1112)21(23)24)2018(25)1916(22)98146435714h311H12H3(H219202225)b98+
MFCD00382032
O=C(NC(=S)Nc1c(C)cc(cc1(N+)(=O)(O))C)C=Cc1ccccc1
ZINC000003878130
ZINC03878130
ZINC3878130
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