Vitas-M small molecule compound

4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK473937
SMILES C=CCn1c(COc2cccc(c2)C(F)(F)F)nnc1S

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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 C13H12F3N3OS MW 315.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3OS/c1-2-6-19-11(17-18-12(19)21)8-20-10-5-3-4-9(7-10)13(14,15)16/h2-5,7H,1,6,8H2,(H,18,21)
InChIKey
CXSVWYRMYFWZTK-UHFFFAOYSA-N
Synonyms
862652-27-5
4(prop2en1yl)5((3(trifluoromethyl)phenoxy)methyl)4H124triazole3thiol
4(PROP2EN1YL)5(3(TRIFLUOROMETHYL)PHENOXYMETHYL)124TRIAZOLE3THIOL
4ALLYL5((3(TRIFLUOROMETHYL)PHENOXY)METHYL)4H124TRIAZOLE3THIOL
4prop2enyl3((3(trifluoromethyl)phenoxy)methyl)1H124triazole5thione
862652275
C=CCN1C(=NNC1=S)COC2=CC=CC(=C2)C(F)(F)F
InChI=1SC13H12F3N3OSc1261911(171812(19)21)820105349(710)13(1415)16h257H168H2(H1821)
MFCD04968893
ZINC000002536733
ZINC02536733
ZINC2536733

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Available files

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