Vitas-M small molecule compound
2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Catalog ID
STK987464
SMILES COc1ccccc1N1CCN(CC1)C(=O)CSc1nnc(n1N)c1cccc(c1)F
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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 C21H23FN6O2S MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN6O2S/c1-30-18-8-3-2-7-17(18)26-9-11-27(12-10-26)19(29)14-31-21-25-24-20(28(21)23)15-5-4-6-16(22)13-15/h2-8,13H,9-12,14,23H2,1H3InChIKey
IUNXCHVDSLXGED-UHFFFAOYSA-NSynonyms
2((4amino5(3fluorophenyl)124triazol3yl)sulfanyl)1(4(2methoxyphenyl)piperazin1yl)ethanone
2((4amino5(3fluorophenyl)4H124triazol3yl)sulfanyl)1(4(2methoxyphenyl)piperazin1yl)ethanone
COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)F
InChI=1SC21H23FN6O2Sc13018832717(18)2691127(121026)19(29)143121252420(28(21)23)1554616(22)1315h2813H9121423H21H3
MFCD18184221
ZINC000019011292
ZINC19011292
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