Vitas-M small molecule compound
4-methoxy-3-nitro-N-[(2-oxo-2H-chromen-6-yl)carbamothioyl]benzamide
Catalog ID
STK337066
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)ccc(=O)o2
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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 C18H13N3O6S MW 399.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6S/c1-26-15-5-2-11(9-13(15)21(24)25)17(23)20-18(28)19-12-4-6-14-10(8-12)3-7-16(22)27-14/h2-9H,1H3,(H2,19,20,23,28)InChIKey
IAWYAEFHZYNINC-UHFFFAOYSA-NSynonyms
1(4METHOXY3NITROBENZOYL)3(2OXO2HCHROMEN6YL)THIOUREA
4methoxy3nitroN((2oxo2Hchromen6yl)carbamothioyl)benzamide
4METHOXY3NITRON((2OXOCHROMEN6YL)CARBAMOTHIOYL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)ccc(=O)o2
InChI=1SC18H13N3O6Sc126155211(913(15)21(24)25)17(23)2018(28)1912461410(812)3716(22)2714h29H1H3(H219202328)
MFCD05799573
ZINC000005063737
ZINC05063737
ZINC5063737
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