Vitas-M small molecule compound
2-{[4-(bicyclo[2.2.1]hept-5-en-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Catalog ID
STK685993
SMILES O=c1n(ncc2c1cccc2)Cc1nnc(n1C1CC2CC1C=C2)S
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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 C18H17N5OS MW 351.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5OS/c24-17-14-4-2-1-3-13(14)9-19-22(17)10-16-20-21-18(25)23(16)15-8-11-5-6-12(15)7-11/h1-6,9,11-12,15H,7-8,10H2,(H,21,25)InChIKey
VJLNIPBZTXRVDF-UHFFFAOYSA-NSynonyms
2((4((1S2S4R)BICYCLO(221)HEPT5EN2YL)5THIOXO45DIHYDRO1H124TRIAZOL3YL)METHYL)PHTHALAZIN1(2H)ONE
2((4(5BICYCLO(221)HEPT2ENYL)5SULFANYLIDENE1H124TRIAZOL3YL)METHYL)PHTHALAZIN1ONE
2((4(bicyclo(221)hept5en2yl)5sulfanyl4H124triazol3yl)methyl)phthalazin1(2H)one
C1C2CC(C1C=C2)N3C(=NNC3=S)CN4C(=O)C5=CC=CC=C5C=N4
InChI=1SC18H17N5OSc241714421313(14)91922(17)1016202118(25)23(16)158115612(15)711h169111215H7810H2(H2125)
MFCD06014176
ZINC000100189559
ZINC000100189563
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