Vitas-M small molecule compound
1-(3,4-dimethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK497675
SMILES C=CCn1c(SCC(=O)c2ccc(c(c2)OC)OC)nnc1c1cccnc1
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-4-10-24-19(15-6-5-9-21-12-15)22-23-20(24)28-13-16(25)14-7-8-17(26-2)18(11-14)27-3/h4-9,11-12H,1,10,13H2,2-3H3InChIKey
ODRYRBXNKGPWHB-UHFFFAOYSA-NSynonyms
1(34dimethoxyphenyl)2((4(prop2en1yl)5(pyridin3yl)4H124triazol3yl)sulfanyl)ethanone
1(34dimethoxyphenyl)2((4prop2enyl5pyridin3yl124triazol3yl)sulfanyl)ethanone
COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)OC
InChI=1SC20H20N4O3Sc14102419(15659211215)222320(24)281316(25)147817(262)18(1114)273h491112H11013H223H3
MFCD03611764
ZINC000008471530
ZINC08471530
ZINC8471530
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