Vitas-M small molecule compound
2-{[5-(1H-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
Catalog ID
STL191406
SMILES O=C(NC1CCCCC1)CSc1nnc(n1c1ccccc1)Cn1nnc2c1cccc2
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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 C23H25N7OS MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N7OS/c31-22(24-17-9-3-1-4-10-17)16-32-23-27-26-21(30(23)18-11-5-2-6-12-18)15-29-20-14-8-7-13-19(20)25-28-29/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,24,31)InChIKey
QCVQUADFLUJELK-UHFFFAOYSA-NSynonyms
2((5(1Hbenzotriazol1ylmethyl)4phenyl4H124triazol3yl)sulfanyl)Ncyclohexylacetamide
2((5(benzotriazol1ylmethyl)4phenyl124triazol3yl)sulfanyl)Ncyclohexylacetamide
C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4
InChI=1SC23H25N7OSc3122(241793141017)163223272621(30(23)18115261218)15292014871319(20)252829h258111417H1349101516H2(H2431)
MFCD15151049
ZINC000020831544
ZINC20831544
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