Vitas-M small molecule compound
4-{[4-cyclopropyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}but-2-yn-1-ol
Catalog ID
STK357471
SMILES OCC#CCSc1nnc(n1C1CC1)c1ccc(cc1)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 C16H17N3OS MW 299.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3OS/c1-12-4-6-13(7-5-12)15-17-18-16(19(15)14-8-9-14)21-11-3-2-10-20/h4-7,14,20H,8-11H2,1H3InChIKey
YUHSLHBSSHBNMZ-UHFFFAOYSA-NSynonyms
933551-26-94((4cyclopropyl5(4methylphenyl)124triazol3yl)sulfanyl)but2yn1ol
4((4cyclopropyl5(4methylphenyl)4H124triazol3yl)sulfanyl)but2yn1ol
933551269
CC1=CC=C(C=C1)C2=NN=C(N2C3CC3)SCC#CCO
InChI=1SC16H17N3OSc1124613(7512)15171816(19(15)148914)2111321020h471420H811H21H3
MFCD11695951
ZINC000014608586
ZINC14608586
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