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Vitas-M small molecule compound

4-[(3-acetylphenyl)amino]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide

Catalog ID
STK674236
SMILES Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Nc1cccc(c1)C(=O)C

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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 C27H23N7O8S MW 605.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N7O8S/c1-15-11-16(2)29-27(28-15)32-43(41,42)22-9-7-20(8-10-22)31-26(36)19-13-23(33(37)38)25(24(14-19)34(39)40)30-21-6-4-5-18(12-21)17(3)35/h4-14,30H,1-3H3,(H,31,36)(H,28,29,32)
InChIKey
UUCLZDUHOSSZFR-UHFFFAOYSA-N
Synonyms

(4((3ACETYLPHENYL)AMINO)35DINITROPHENYL)N(4(((46DIMETHYLPYRIMIDIN2YL)AMINO)SULFONYL)PHENYL)CARBOXAMIDE
4((3acetylphenyl)amino)N(4((46dimethylpyrimidin2yl)sulfamoyl)phenyl)35dinitrobenzamide
4(3ACETYLANILINO)N(4(((46DIMETHYL2PYRIMIDINYL)AMINO)SULFONYL)PHENYL)35BISNITROBENZAMIDE
4(3ACETYLANILINO)N(4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)PHENYL)35DINITROBENZAMIDE
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)(N+)(=O)(O))NC4=CC=CC(=C4)C(=O)C)(N+)(=O)(O))C
Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))Nc1cccc(c1)C(=O)C
InChI=1SC27H23N7O8Sc1151116(2)2927(2815)3243(4142)229720(81022)3126(36)191323(33(37)38)25(24(1419)34(39)40)302164518(1221)17(3)35h41430H13H3(H3136)(H282932)
MFCD01305094
ZINC000008443388
ZINC08443388
ZINC8443388

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Available files

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