Vitas-M small molecule compound
(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537632
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc2c(c1)OCO2
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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 C30H27N3O5 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O5/c1-2-36-24-10-6-4-8-20(24)29-28-21(19-7-3-5-9-22(19)31-28)14-23-30(35)32(16-27(34)33(23)29)15-18-11-12-25-26(13-18)38-17-37-25/h3-13,23,29,31H,2,14-17H2,1H3/t23-,29?/m0/s1InChIKey
NRCFQPLRNJFAQZ-QASNXKAYSA-NSynonyms
956951-39-6(12aS)2(13benzodioxol5ylmethyl)6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(13benzodioxol5ylmethyl)2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400054
956951396
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc2c(c1)OCO2
InChI=1SC30H27N3O5c1236241064820(24)292821(19735922(19)3128)142330(35)32(1627(34)33(23)29)151811122526(1318)38173725h313232931H21417H21H3t2329?m0s1
MFCD05670777
ZINC000002108462
ZINC000002108464
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