Vitas-M small molecule compound
3-(azepan-1-ylsulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-methylbenzamide
Catalog ID
STK257308
SMILES O=C(c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)C)Nc1c(C)n(n(c1=O)c1ccccc1)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 C25H30N4O4S MW 482.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4S/c1-18-13-14-20(17-22(18)34(32,33)28-15-9-4-5-10-16-28)24(30)26-23-19(2)27(3)29(25(23)31)21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H,26,30)InChIKey
NICBGMQHZZENBW-UHFFFAOYSA-NSynonyms
3(azepan1ylsulfonyl)N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4methylbenzamide
3(azepan1ylsulfonyl)N(15dimethyl3oxo2phenylpyrazol4yl)4methylbenzamide
3(AZEPANE1SULFONYL)N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)4METHYLBENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)N4CCCCCC4
InChI=1SC25H30N4O4Sc118131420(1722(18)34(3233)2815945101628)24(30)262319(2)27(3)29(25(23)31)21117681221h68111417H459101516H213H3(H2630)
MFCD08683453
ZINC000009356135
ZINC09356135
ZINC9356135
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