Vitas-M small molecule compound
7-(3,4-diethoxybenzyl)-8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK679428
SMILES CCOc1cc(ccc1OCC)Cn1c(SCC(=O)N2c3ccc(cc3C3C2CCN(C3)C)C)nc2c1c(=O)n(c(=O)n2C)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 C33H40N6O5S MW 632.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N6O5S/c1-7-43-26-12-10-21(16-27(26)44-8-2)17-38-29-30(36(5)33(42)37(6)31(29)41)34-32(38)45-19-28(40)39-24-11-9-20(3)15-22(24)23-18-35(4)14-13-25(23)39/h9-12,15-16,23,25H,7-8,13-14,17-19H2,1-6H3InChIKey
DQWQQZLGVYVIAK-UHFFFAOYSA-NSynonyms
7((34DIETHOXYPHENYL)METHYL)8(2(28DIMETHYL344A9BTETRAHYDRO1HPYRIDO(43B)INDOL5YL)2OXOETHYL)SULFANYL13DIMETHYLPURINE26DIONE
7((34DIETHOXYPHENYL)METHYL)8(2(28DIMETHYLPIPERIDINO(43B)INDOLIN5YL)2OXOETHYLTHIO)13DIMETHYL137TRIHYDROPURINE26DIONE
7(34diethoxybenzyl)8((2(28dimethyl12344a9bhexahydro5Hpyrido(43b)indol5yl)2oxoethyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC(=O)N4C5CCN(CC5C6=C4C=CC(=C6)C)C)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC33H40N6O5Sc174326121021(1627(26)4482)17382930(36(5)33(42)37(6)31(29)41)3432(38)451928(40)392411920(3)1522(24)231835(4)141325(23)39h91215162325H7813141719H216H3
MFCD03763502
ZINC000029748748
ZINC000098005094
Check stock
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Check stock on Vitas-MAvailable files
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