Vitas-M small molecule compound

4-methyl-N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-3-nitrobenzamide

Catalog ID
STK026699
SMILES Cc1cc(ccc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)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 C22H20N2O3S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S/c1-15-8-10-18(13-21(15)24(26)27)22(25)23-20-11-9-17(12-16(20)2)14-28-19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,23,25)
InChIKey
PRPMRIQALGHNGG-UHFFFAOYSA-N
Synonyms

4METHYLN(2METHYL4((PHENYLSULFANYL)METHYL)PHENYL)3NITROBENZAMIDE
4METHYLN(2METHYL4((PHENYLTHIO)METHYL)PHENYL)3NITROBENZAMIDE
4METHYLN(2METHYL4(PHENYLSULFANYLMETHYL)PHENYL)3NITROBENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)(N+)(=O)(O)
Cc1cc(ccc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CSc1ccccc1
InChI=1SC22H20N2O3Sc11581018(1321(15)24(26)27)22(25)232011917(1216(20)2)1428196435719h313H14H212H3(H2325)
MFCD03554765
STK026699
ZINC000004592783
ZINC04592783
ZINC4592783

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Available files

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