Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(tetrahydrofuran-2-ylmethyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STL169406
SMILES C/C(=N\CC1CCCO1)/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2
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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 C18H17F3N4O2S MW 410.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N4O2S/c1-10(22-9-11-5-4-8-27-11)14-15(18(19,20)21)24-25(16(14)26)17-23-12-6-2-3-7-13(12)28-17/h2-3,6-7,11,24H,4-5,8-9H2,1H3/b22-10+InChIKey
YXSKUQYORQJZQY-LSHDLFTRSA-NSynonyms
362679-80-9(E)2(benzo(d)thiazol2yl)4(1(((tetrahydrofuran2yl)methyl)imino)ethyl)5(trifluoromethyl)1Hpyrazol3(2H)one
2(13benzothiazol2yl)4((1E)N(tetrahydrofuran2ylmethyl)ethanimidoyl)5(trifluoromethyl)12dihydro3Hpyrazol3one
362679809
CC(=NCC1CCCO1)c1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2
MFCD01447493
ZINC000004786057
ZINC000018157470
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