Vitas-M small molecule compound
2-[5-({2-[(2-fluoro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
Catalog ID
STK498175
SMILES O=C(Nc1ccc(cc1F)C)CSc1nnc(n1C)CC(=O)Nc1ccccc1C
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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 C21H22FN5O2S MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O2S/c1-13-8-9-17(15(22)10-13)24-20(29)12-30-21-26-25-18(27(21)3)11-19(28)23-16-7-5-4-6-14(16)2/h4-10H,11-12H2,1-3H3,(H,23,28)(H,24,29)InChIKey
NVEOFXFXKWZQPV-UHFFFAOYSA-NSynonyms
2(5((2((2fluoro4methylphenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)N(2methylphenyl)acetamide
2(5(2(2fluoro4methylanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)N(2methylphenyl)acetamide
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3C)F
InChI=1SC21H22FN5O2Sc1138917(15(22)1013)2420(29)123021262518(27(21)3)1119(28)2316754614(16)2h410H1112H213H3(H2328)(H2429)
MFCD11855342
ZINC000032579606
ZINC32579606
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