Vitas-M small molecule compound

N-butyl-2-{[N-(2-methoxy-5-nitrophenyl)-N-(methylsulfonyl)glycyl]amino}benzamide

Catalog ID
STL071955
SMILES CCCCNC(=O)c1ccccc1NC(=O)CN(S(=O)(=O)C)c1cc(ccc1OC)[N+](=O)[O-]

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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 C21H26N4O7S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O7S/c1-4-5-12-22-21(27)16-8-6-7-9-17(16)23-20(26)14-24(33(3,30)31)18-13-15(25(28)29)10-11-19(18)32-2/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,27)(H,23,26)
InChIKey
ZFCPJCMDXOGHHF-UHFFFAOYSA-N
Synonyms

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=C(C=CC(=C2)(N+)(=O)(O))OC)S(=O)(=O)C
CCCCNC(=O)c1ccccc1NC(=O)CN(S(=O)(=O)C)c1cc(ccc1OC)(N+)(=O)(O)
InChI=1SC21H26N4O7Sc145122221(27)16867917(16)2320(26)1424(33(330)31)181315(25(28)29)101119(18)322h61113H451214H213H3(H2227)(H2326)
MFCD06629206
NBUTYL2((2(2METHOXYNMETHYLSULFONYL5NITROANILINO)ACETYL)AMINO)BENZAMIDE
Nbutyl2((N(2methoxy5nitrophenyl)N(methylsulfonyl)glycyl)amino)benzamide
ZINC000016447902
ZINC16447902

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Available files

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