Vitas-M small molecule compound
1-(4-methoxy-2,5-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK497676
SMILES C=CCn1c(SCC(=O)c2cc(C)c(cc2C)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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-5-9-25-20(16-7-6-8-22-12-16)23-24-21(25)28-13-18(26)17-10-15(3)19(27-4)11-14(17)2/h5-8,10-12H,1,9,13H2,2-4H3InChIKey
JIDOXBRJXDAAII-UHFFFAOYSA-NSynonyms
1(4methoxy25dimethylphenyl)2((4(prop2en1yl)5(pyridin3yl)4H124triazol3yl)sulfanyl)ethanone
1(4methoxy25dimethylphenyl)2((4prop2enyl5pyridin3yl124triazol3yl)sulfanyl)ethanone
CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)C)OC
InChI=1SC21H22N4O2Sc1592520(16768221216)232421(25)281318(26)171015(3)19(274)1114(17)2h581012H1913H224H3
MFCD11855038
ZINC000032579394
ZINC32579394
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