Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]prop-2-enamide
Catalog ID
STK323927
SMILES COc1ccc(cc1OC)/C=C/C(=O)NC(=S)Nc1ccc(cc1O)[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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-6-5-12(21(24)25)10-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)/b8-4+InChIKey
HNAXEDISCAOJKE-XBXARRHUSA-NSynonyms
330580-21-7(2E)3(34dimethoxyphenyl)N((2hydroxy4nitrophenyl)carbamothioyl)prop2enamide
(E)3(34DIMETHOXYPHENYL)N((2HYDROXY4NITROPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
330580217
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))O)OC
COc1ccc(cc1OC)C=CC(=O)NC(=S)Nc1ccc(cc1O)(N+)(=O)(O)
InChI=1SC18H17N3O6Sc126157311(916(15)272)4817(23)2018(28)19136512(21(24)25)1014(13)22h31022H12H3(H219202328)b84+
MFCD00296023
ZINC000005350917
ZINC05350917
ZINC5350917
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