Vitas-M small molecule compound
6-(4-methylcyclohex-3-en-1-yl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK791987
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)C1CCC(=CC1)C
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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 C20H24N4OS MW 368.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4OS/c1-3-12-26-20-22-19-17(23-24-20)15-6-4-5-7-16(15)21-18(25-19)14-10-8-13(2)9-11-14/h4-8,14,18,21H,3,9-12H2,1-2H3InChIKey
RPBOVUWGOQOEDY-UHFFFAOYSA-NSynonyms
6(4methylcyclohex3en1yl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4METHYLCYCLOHEX3EN1YL)3(PROPYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4METHYLCYCLOHEX3EN1YL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4CCC(=CC4)C)N=N1
InChI=1SC20H24N4OSc13122620221917(232420)15645716(15)2118(2519)1410813(2)91114h48141821H3912H212H3
MFCD01008234
ZINC000003772505
ZINC000003772508
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