Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-(3-methylbutyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537685
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC(C)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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-4-33-23-12-8-6-10-19(23)26-25-20(18-9-5-7-11-21(18)28-25)15-22-27(32)29(14-13-17(2)3)16-24(31)30(22)26/h5-12,17,22,26,28H,4,13-16H2,1-3H3/t22-,26?/m0/s1InChIKey
SQQHPQJRPCDOMT-CHQVSRGASA-NSynonyms
957032-44-9(12aS)6(2ethoxyphenyl)2(3methylbutyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(2ethoxyphenyl)2isopentyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(2ethoxyphenyl)6(3methylbutyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400103
957032449
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC(C)C
InChI=1SC27H31N3O3c14332312861019(23)262520(189571121(18)2825)152227(32)29(141317(2)3)1624(31)30(22)26h51217222628H41316H213H3t2226?m0s1
MFCD05670854
ZINC000002108612
ZINC000002108613
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