Vitas-M small molecule compound
N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-3-nitrobenzamide
Catalog ID
STL121077
SMILES Cc1cc(ccc1NC(=O)c1cccc(c1)[N+](=O)[O-])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/c1-15-12-16(14-27-19-8-3-2-4-9-19)10-11-20(15)22-21(24)17-6-5-7-18(13-17)23(25)26/h2-13H,14H2,1H3,(H,22,24)InChIKey
CCTDFOABYYEBJZ-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
Cc1cc(ccc1NC(=O)c1cccc(c1)(N+)(=O)(O))CSc1ccccc1
InChI=1SC21H18N2O3Sc1151216(1427198324919)101120(15)2221(24)1765718(1317)23(25)26h213H14H21H3(H2224)
MFCD03706277
N(2methyl4((phenylsulfanyl)methyl)phenyl)3nitrobenzamide
N(2METHYL4((PHENYLTHIO)METHYL)PHENYL)3NITROBENZAMIDE
N(2METHYL4(PHENYLSULFANYLMETHYL)PHENYL)3NITROBENZAMIDE
ZINC000001149962
ZINC01149962
ZINC1149962
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