Vitas-M small molecule compound

2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide

Catalog ID
STK573566
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1COc1ccc(cc1)Cl

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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 C21H20ClFN4O2S MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClFN4O2S/c1-3-10-27-19(12-29-17-8-5-15(22)6-9-17)25-26-21(27)30-13-20(28)24-16-7-4-14(2)18(23)11-16/h3-9,11H,1,10,12-13H2,2H3,(H,24,28)
InChIKey
ZQUPEZIFYVAVRI-UHFFFAOYSA-N
Synonyms
900273-65-6
2((4allyl5((4chlorophenoxy)methyl)4H124triazol3yl)thio)N(3fluoro4methylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
2((5((4CHLOROPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(3FLUORO4METHYLPHENYL)ACETAMIDE
2((5(4CHLOROPHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(3FLUORO4METHYLPHENYL)ACETAMIDE
2(5((4CHLOROPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(3FLUORO4METHYLPHENYL)ACETAMIDE
900273656
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl)F
InChI=1SC21H20ClFN4O2Sc13102719(1229178515(22)6917)252621(27)301320(28)24167414(2)18(23)1116h3911H1101213H22H3(H2428)
MFCD06612021
ZINC000002356558
ZINC02356558
ZINC2356558

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Available files

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