Vitas-M small molecule compound

2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

Catalog ID
STK574930
SMILES O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)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 C21H18F3N7OS MW 473.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N7OS/c1-12-6-8-13(9-7-12)16-10-17(28-27-16)19-29-30-20(31(19)25)33-11-18(32)26-15-5-3-2-4-14(15)21(22,23)24/h2-10H,11,25H2,1H3,(H,26,32)(H,27,28)
InChIKey
DJHCGEBTBBCHQO-UHFFFAOYSA-N
Synonyms
879460-99-8
2((4AMINO5(3(4METHYLPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2((4amino5(3(ptolyl)1Hpyrazol5yl)4H124triazol3yl)thio)N(2(trifluoromethyl)phenyl)acetamide
2((4amino5(5(4methylphenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2(4AMINO5(3(4METHYLPHENYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))N(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
879460998
CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=CC=C4C(F)(F)F
InChI=1SC21H18F3N7OSc1126813(9712)161017(282716)19293020(31(19)25)331118(32)2615532414(15)21(2223)24h210H1125H21H3(H2632)(H2728)
MFCD07211322
O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1(nH)nc(c1)c1ccc(cc1)C
O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1n(nH)c(c1)c1ccc(cc1)C
ZINC000009541341
ZINC09541341
ZINC9541341

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Available files

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