Vitas-M small molecule compound
8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK678867
SMILES CCn1c(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 C24H30N6O3S MW 482.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N6O3S/c1-6-29-20-21(27(4)24(33)28(5)22(20)32)25-23(29)34-13-19(31)30-17-8-7-14(2)11-15(17)16-12-26(3)10-9-18(16)30/h7-8,11,16,18H,6,9-10,12-13H2,1-5H3InChIKey
APLKBJAQBJRJIP-UHFFFAOYSA-NSynonyms
8((2(28dimethyl12344a9bhexahydro5Hpyrido(43b)indol5yl)2oxoethyl)sulfanyl)7ethyl13dimethyl37dihydro1Hpurine26dione
8(2(28DIMETHYL344A9BTETRAHYDRO1HPYRIDO(43B)INDOL5YL)2OXOETHYL)SULFANYL7ETHYL13DIMETHYLPURINE26DIONE
8(2(28DIMETHYLPIPERIDINO(43B)INDOLIN5YL)2OXOETHYLTHIO)7ETHYL13DIMETHYL137TRIHYDROPURINE26DIONE
CCN1C2=C(N=C1SCC(=O)N3C4CCN(CC4C5=C3C=CC(=C5)C)C)N(C(=O)N(C2=O)C)C
InChI=1SC24H30N6O3Sc16292021(27(4)24(33)28(5)22(20)32)2523(29)341319(31)30178714(2)1115(17)161226(3)10918(16)30h78111618H69101213H215H3
MFCD03308404
ZINC000008779830
ZINC000008779837
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