Vitas-M small molecule compound
4-methyl-3-nitro-N-{4-[(phenylsulfanyl)methyl]phenyl}benzamide
Catalog ID
STL259331
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1ccc(cc1)CSc1ccccc1
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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 C21H18N2O3S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S/c1-15-7-10-17(13-20(15)23(25)26)21(24)22-18-11-8-16(9-12-18)14-27-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,22,24)InChIKey
DXAULNUIWVJDPK-UHFFFAOYSA-NSynonyms
4methyl3nitroN(4((phenylsulfanyl)methyl)phenyl)benzamide
4METHYL3NITRON(4(PHENYLSULFANYLMETHYL)PHENYL)BENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC21H18N2O3Sc11571017(1320(15)23(25)26)21(24)221811816(91218)1427195324619h213H14H21H3(H2224)
MFCD03704977
O=C(c1ccc(c(c1)(N+)(=O)(O))C)Nc1ccc(cc1)CSc1ccccc1
ZINC000001165988
ZINC01165988
ZINC1165988
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