Vitas-M small molecule compound
(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(2,5-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536816
SMILES COc1ccc(c(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc2c(c1)OCO2)OC
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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 C30H27N3O6 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O6/c1-36-18-8-10-24(37-2)21(12-18)29-28-20(19-5-3-4-6-22(19)31-28)13-23-30(35)32(15-27(34)33(23)29)14-17-7-9-25-26(11-17)39-16-38-25/h3-12,23,29,31H,13-16H2,1-2H3/t23-,29?/m0/s1InChIKey
DVSZSQBSNVYRQJ-QASNXKAYSA-NSynonyms
956974-15-5(12aS)2(13benzodioxol5ylmethyl)6(25dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6(25dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(13benzodioxol5ylmethyl)2(25dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399380
956974155
COc1ccc(c(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc2c(c1)OCO2)OC
InChI=1SC30H27N3O6c1361881024(372)21(1218)292820(19534622(19)3128)132330(35)32(1527(34)33(23)29)1417792526(1117)39163825h312232931H1316H212H3t2329?m0s1
MFCD04143318
ZINC000002099046
ZINC000002099048
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.