Vitas-M small molecule compound
(12aS)-2-(butan-2-yl)-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL547989
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C(CC)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 C26H29N3O3 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3/c1-4-16(3)28-15-23(30)29-21(26(28)31)14-19-17-10-6-8-12-20(17)27-24(19)25(29)18-11-7-9-13-22(18)32-5-2/h6-13,16,21,25,27H,4-5,14-15H2,1-3H3/t16?,21-,25?/m0/s1InChIKey
BNTTYFAVKISXRJ-MHVXWQKQSA-NSynonyms
956928-02-2(12aS)2(butan2yl)6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(secbutyl)6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6butan2yl2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400210
956928022
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C(CC)C
InChI=1SC26H29N3O3c1416(3)281523(30)2921(26(28)31)14191710681220(17)2724(19)25(29)1811791322(18)3252h61316212527H451415H213H3t16?2125?m0s1
MFCD05671034
ZINC000002108961
ZINC000002108967
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