Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Catalog ID
STK245647
SMILES C=CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1cc2c(o1)cccc2
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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 C24H22N4O2S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O2S/c1-2-12-28-23(21-14-18-8-5-6-10-20(18)30-21)25-26-24(28)31-16-22(29)27-13-11-17-7-3-4-9-19(17)15-27/h2-10,14H,1,11-13,15-16H2InChIKey
SXESGQUCNGGSQP-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(34DIHYDROISOQUINOLIN2(1H)YL)ETHANONE
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)1(34dihydro1Hisoquinolin2yl)ethanone
2(4ALLYL5BENZOFURAN2YL4H(124)TRIAZOL3YLSULFANYL)1(34DIHYDRO1HISOQUINOLIN2YL)
C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC5=CC=CC=C5O4
InChI=1SC24H22N4O2Sc12122823(2114188561020(18)3021)252624(28)311622(29)27131117734919(17)1527h21014H111131516H2
MFCD08670296
ZINC000009327735
ZINC09327735
ZINC9327735
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