Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL380822
SMILES Clc1ccc(cc1)c1nnc(n1c1ccc(c(c1)C)C)SCC(=O)N1CCCCCC1
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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 C24H27ClN4OS MW 455.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4OS/c1-17-7-12-21(15-18(17)2)29-23(19-8-10-20(25)11-9-19)26-27-24(29)31-16-22(30)28-13-5-3-4-6-14-28/h7-12,15H,3-6,13-14,16H2,1-2H3InChIKey
KNCOTHXCPOXGHW-UHFFFAOYSA-NSynonyms
1(AZEPAN1YL)2((5(4CHLOROPHENYL)4(34DIMETHYLPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(azepan1yl)2((5(4chlorophenyl)4(34dimethylphenyl)4H124triazol3yl)sulfanyl)ethanone
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)Cl)C
InChI=1SC24H27ClN4OSc11771221(1518(17)2)2923(1981020(25)11919)262724(29)311622(30)281353461428h71215H36131416H212H3
MFCD05987892
ZINC000002848230
ZINC02848230
ZINC2848230
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