Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STK065498
SMILES O=C(Nc1ccc(cc1)F)CSc1nnc(n1C1CCCCC1)c1ccncc1
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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 C21H22FN5OS MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5OS/c22-16-6-8-17(9-7-16)24-19(28)14-29-21-26-25-20(15-10-12-23-13-11-15)27(21)18-4-2-1-3-5-18/h6-13,18H,1-5,14H2,(H,24,28)InChIKey
LLFAINFNKZRSJG-UHFFFAOYSA-NSynonyms
2((4CYCLOHEXYL5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)N(4FLUOROPHENYL)ACETAMIDE
2((4CYCLOHEXYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)N(4FLUOROPHENYL)ACETAMIDE
2(4CYCLOHEXYL5(4PYRIDYL)(124TRIAZOL3YLTHIO))N(4FLUOROPHENYL)ACETAMIDE
C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)C4=CC=NC=C4
InChI=1SC21H22FN5OSc22166817(9716)2419(28)142921262520(15101223131115)27(21)184213518h61318H1514H2(H2428)
MFCD02573620
O=C(Nc1ccc(cc1)F)CSc1nnc(n1C1CCCCC1)c1ccncc1
STK065498
ZINC000000904291
ZINC00904291
ZINC904291
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