Vitas-M small molecule compound
2-{[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
Catalog ID
STK152833
SMILES C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1Cc1ccccc1
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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 C21H21FN4OS MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4OS/c1-3-11-26-19(12-16-7-5-4-6-8-16)24-25-21(26)28-14-20(27)23-18-13-17(22)10-9-15(18)2/h3-10,13H,1,11-12,14H2,2H3,(H,23,27)InChIKey
JHVHXWJCNUWQLE-UHFFFAOYSA-NSynonyms
2((5BENZYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(5FLUORO2METHYLPHENYL)ACETAMIDE
2((5BENZYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(5FLUORO2METHYLPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3
InChI=1SC21H21FN4OSc13112619(12167546816)242521(26)281420(27)23181317(22)10915(18)2h31013H1111214H22H3(H2327)
MFCD05991947
ZINC000002859251
ZINC02859251
ZINC2859251
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