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-methoxyphenyl)ethanone
Catalog ID
STK804092
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)OC)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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-3-10-24-20(15-6-9-18-19(11-15)28-13-27-18)22-23-21(24)29-12-17(25)14-4-7-16(26-2)8-5-14/h3-9,11H,1,10,12-13H2,2H3InChIKey
AVWDIOMTSYASAL-UHFFFAOYSA-NSynonyms
494201-01-32((4allyl5(benzo(d)(13)dioxol5yl)4H124triazol3yl)thio)1(4methoxyphenyl)ethanone
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2(4ALLYL5BENZO(13)DIOXOL5YL4H(124)TRIAZOL3YLSULFANYL)1(4METHOXYPHENYL)ETHANONE
2(5(2HBENZO(34D)13DIOXOLAN5YL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(4METHOXYPHENYL)ETHAN1ONE
494201013
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4
InChI=1SC21H19N3O4Sc13102420(15691819(1115)28132718)222321(24)291217(25)144716(262)8514h3911H1101213H22H3
MFCD03298330
ZINC000004278847
ZINC04278847
ZINC4278847
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