Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Catalog ID
STK697097
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1ccc2c(c1)OCO2
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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 C20H16ClN3O3S MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O3S/c1-2-9-24-19(14-5-8-17-18(10-14)27-12-26-17)22-23-20(24)28-11-16(25)13-3-6-15(21)7-4-13/h2-8,10H,1,9,11-12H2InChIKey
USEPKQSVPFFLDU-UHFFFAOYSA-NSynonyms
385787-71-32((4allyl5(benzo(d)(13)dioxol5yl)4H124triazol3yl)thio)1(4chlorophenyl)ethanone
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(4chlorophenyl)ethanone
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4CHLOROPHENYL)ETHANONE
2(4ALLYL5BENZO(13)DIOXOL5YL4H(124)TRIAZOL3YLSULFANYL)1(4CHLOROPHENYL)ETHANONE
2(5(2HBENZO(34D)13DIOXOLEN5YL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(4CHLOROPHENYL)ETHAN1ONE
385787713
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4
InChI=1SC20H16ClN3O3Sc1292419(14581718(1014)27122617)222320(24)281116(25)133615(21)7413h2810H191112H2
MFCD03230900
ZINC000001306457
ZINC01306457
ZINC1306457
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