Vitas-M small molecule compound
(2E)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
Catalog ID
STK118828
SMILES S=C(Nc1cc(ccc1C)[N+](=O)[O-])NC(=O)/C=C/c1ccc(cc1)C
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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/c1-12-3-6-14(7-4-12)8-10-17(22)20-18(25)19-16-11-15(21(23)24)9-5-13(16)2/h3-11H,1-2H3,(H2,19,20,22,25)/b10-8+InChIKey
VKMQAGRIASETQI-CSKARUKUSA-NSynonyms
(2E)N((2METHYL5NITROPHENYL)CARBAMOTHIOYL)3(4METHYLPHENYL)PROP2ENAMIDE
(E)N((2METHYL5NITROPHENYL)CARBAMOTHIOYL)3(4METHYLPHENYL)PROP2ENAMIDE
CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)(N+)(=O)(O))C
InChI=1SC18H17N3O3Sc1123614(7412)81017(22)2018(25)19161115(21(23)24)9513(16)2h311H12H3(H219202225)b108+
MFCD03622974
S=C(Nc1cc(ccc1C)(N+)(=O)(O))NC(=O)C=Cc1ccc(cc1)C
ZINC000004676022
ZINC04676022
ZINC4676022
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