Vitas-M small molecule compound
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethanone
Catalog ID
STK690096
SMILES Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)CSc1nnc2c(n1)n(CCc1ccccc1)c1c2cccc1
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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 C32H32N6OS MW 548.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N6OS/c1-21-12-13-27-24(18-21)25-19-36(2)16-15-28(25)38(27)29(39)20-40-32-33-31-30(34-35-32)23-10-6-7-11-26(23)37(31)17-14-22-8-4-3-5-9-22/h3-13,18,25,28H,14-17,19-20H2,1-2H3InChIKey
OUDOPQGDHPZRET-UHFFFAOYSA-NSynonyms
1(28dimethyl12344a9bhexahydro5Hpyrido(43b)indol5yl)2((5(2phenylethyl)5H(124)triazino(56b)indol3yl)sulfanyl)ethanone
1(28dimethyl344a9btetrahydro1Hpyrido(43b)indol5yl)2((5(2phenylethyl)(124)triazino(56b)indol3yl)sulfanyl)ethanone
CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CSC4=NC5=C(C6=CC=CC=C6N5CCC7=CC=CC=C7)N=N4
InChI=1SC32H32N6OSc12112132724(1821)251936(2)161528(25)38(27)29(39)204032333130(343532)2310671126(23)37(31)1714228435922h313182528H14171920H212H3
MFCD09063017
ZINC000100225795
ZINC000252430859
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