Vitas-M small molecule compound
2-{[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Catalog ID
STK804053
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)F)nnc1c1ccc(c(c1)OC)OC
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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 C21H20FN3O3S MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O3S/c1-4-11-25-20(15-7-10-18(27-2)19(12-15)28-3)23-24-21(25)29-13-17(26)14-5-8-16(22)9-6-14/h4-10,12H,1,11,13H2,2-3H3InChIKey
BDOURXBNFKORRV-UHFFFAOYSA-NSynonyms
690247-41-72((4ALLYL5(34DIMETHOXYPHENYL)4H124TRIAZOL3YL)THIO)1(4FLUOROPHENYL)ETHANONE
2((5(34dimethoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2((5(34DIMETHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2(5(34DIMETHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(4FLUOROPHENYL)ETHAN1ONE
690247417
COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)F)OC
InChI=1SC21H20FN3O3Sc14112520(1571018(272)19(1215)283)232421(25)291317(26)145816(22)9614h41012H11113H223H3
MFCD04445575
ZINC000002700583
ZINC02700583
ZINC2700583
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