Vitas-M small molecule compound
4-chloro-N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-3-nitrobenzamide
Catalog ID
STL259405
SMILES Cc1cc(ccc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C21H17ClN2O3S MW 412.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O3S/c1-14-11-15(13-28-17-5-3-2-4-6-17)7-10-19(14)23-21(25)16-8-9-18(22)20(12-16)24(26)27/h2-12H,13H2,1H3,(H,23,25)InChIKey
ZHFFAGMHGHXGMD-UHFFFAOYSA-NSynonyms
4chloroN(2methyl4((phenylsulfanyl)methyl)phenyl)3nitrobenzamide
4CHLORON(2METHYL4((PHENYLTHIO)METHYL)PHENYL)3NITROBENZAMIDE
4CHLORON(2METHYL4(PHENYLSULFANYLMETHYL)PHENYL)3NITROBENZAMIDE
CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
Cc1cc(ccc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)CSc1ccccc1
InChI=1SC21H17ClN2O3Sc1141115(1328175324617)71019(14)2321(25)168918(22)20(1216)24(26)27h212H13H21H3(H2325)
MFCD03706702
ZINC000002991852
ZINC02991852
ZINC2991852
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