Vitas-M small molecule compound

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

Catalog ID
STL032366
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)nnc1COc1ccc(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 C22H20ClF3N4O2S MW 496.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClF3N4O2S/c1-3-10-30-19(12-32-16-7-4-14(2)5-8-16)28-29-21(30)33-13-20(31)27-18-11-15(22(24,25)26)6-9-17(18)23/h3-9,11H,1,10,12-13H2,2H3,(H,27,31)
InChIKey
AJUGUTOFEPRJPT-UHFFFAOYSA-N
Synonyms
848930-53-0
2((4allyl5((ptolyloxy)methyl)4H124triazol3yl)thio)N(2chloro5(trifluoromethyl)phenyl)acetamide
848930530
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI=1SC22H20ClF3N4O2Sc13103019(1232167414(2)5816)282921(30)331320(31)27181115(22(2425)26)6917(18)23h3911H1101213H22H3(H2731)
MFCD04399144
N(2chloro5(trifluoromethyl)phenyl)2((5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)2((5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)2((5(4METHYLPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)2(5((4METHYLPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002444699
ZINC02444699
ZINC2444699

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Available files

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