Vitas-M small molecule compound

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK575568
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)nnc1c1ccccc1OC

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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 C21H18ClF3N4O2S MW 482.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClF3N4O2S/c1-3-10-29-19(14-6-4-5-7-17(14)31-2)27-28-20(29)32-12-18(30)26-13-8-9-16(22)15(11-13)21(23,24)25/h3-9,11H,1,10,12H2,2H3,(H,26,30)
InChIKey
XCXSIBMTWYAWLH-UHFFFAOYSA-N
Synonyms
848992-64-3
2((4allyl5(2methoxyphenyl)4H124triazol3yl)thio)N(4chloro3(trifluoromethyl)phenyl)acetamide
848992643
COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI=1SC21H18ClF3N4O2Sc13102919(14645717(14)312)272820(29)321218(30)26138916(22)15(1113)21(2324)25h3911H11012H22H3(H2630)
MFCD05679117
N(4chloro3(trifluoromethyl)phenyl)2((5(2methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)2((5(2METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)2(5(2METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002447011
ZINC02447011
ZINC2447011

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Available files

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