Vitas-M small molecule compound

5-{1-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK307083
SMILES COc1cc(OC)ccc1n1c(S)nnc1C(n1nc(cc1C1CC1)C(F)(F)F)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 C19H20F3N5O2S MW 439.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F3N5O2S/c1-10(27-14(11-4-5-11)9-16(25-27)19(20,21)22)17-23-24-18(30)26(17)13-7-6-12(28-2)8-15(13)29-3/h6-11H,4-5H2,1-3H3,(H,24,30)
InChIKey
RZFONRQNNHHUPH-UHFFFAOYSA-N
Synonyms
1005634-73-0
1005634730
3(1(5CYCLOPROPYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ETHYL)4(24DIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
4(24DIMETHOXYPHENYL)5((5CYCLOPROPYL3(TRIFLUOROMETHYL)PYRAZOLYL)ETHYL)124TRIAZOLE3THIOL
5(1(5CYCLOPROPYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)ETHYL)4(24DIMETHOXYPHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
5(1(5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)ethyl)4(24dimethoxyphenyl)4H124triazole3thiol
CC(C1=NNC(=S)N1C2=C(C=C(C=C2)OC)OC)N3C(=CC(=N3)C(F)(F)F)C4CC4
InChI=1SC19H20F3N5O2Sc110(2714(114511)916(2527)19(2021)22)17232418(30)26(17)137612(282)815(13)293h611H45H213H3(H2430)
MFCD04053652
ZINC000002792599
ZINC000002792600

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Available files

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