Vitas-M small molecule compound
3-{[5-(1H-benzimidazol-1-ylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK652513
SMILES C=CCn1c(nnc1Cn1cnc2c1cccc2)SC1CCc2c(NC1=O)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 C23H22N6OS MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6OS/c1-2-13-29-21(14-28-15-24-18-9-5-6-10-19(18)28)26-27-23(29)31-20-12-11-16-7-3-4-8-17(16)25-22(20)30/h2-10,15,20H,1,11-14H2,(H,25,30)InChIKey
DITGFULBDYTRJT-UHFFFAOYSA-NSynonyms
1040698-74-51040698745
3((5((1Hbenzo(d)imidazol1yl)methyl)4allyl4H124triazol3yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3((5(1Hbenzimidazol1ylmethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((5(benzimidazol1ylmethyl)4prop2enyl124triazol3yl)sulfanyl)1345tetrahydro1benzazepin2one
C=CCN1C(=NN=C1SC2CCC3=CC=CC=C3NC2=O)CN4C=NC5=CC=CC=C54
InChI=1SC23H22N6OSc12132921(14281524189561019(18)28)262723(29)3120121116734817(16)2522(20)30h2101520H11114H2(H2530)
MFCD12217973
ZINC000031820772
ZINC000031820776
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