Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK230367
SMILES C=CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1cc2c(o1)c(OC)ccc2
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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 C25H24N4O3S MW 460.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S/c1-3-12-29-24(21-14-18-9-6-10-20(31-2)23(18)32-21)26-27-25(29)33-16-22(30)28-13-11-17-7-4-5-8-19(17)15-28/h3-10,14H,1,11-13,15-16H2,2H3InChIKey
WGIYFBISORDTTJ-UHFFFAOYSA-NSynonyms
1(34DIHYDRO1HISOQUINOLIN2YL)2((5(7METHOXY1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROISOQUINOLIN2(1H)YL)2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)N4CCC5=CC=CC=C5C4
InChI=1SC25H24N4O3Sc13122924(211418961020(312)23(18)3221)262725(29)331622(30)28131117745819(17)1528h31014H111131516H22H3
MFCD07790387
ZINC000009263501
ZINC09263501
ZINC9263501
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