Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-(propan-2-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536965
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C(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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-4-31-21-12-8-6-10-17(21)24-23-18(16-9-5-7-11-19(16)26-23)13-20-25(30)27(15(2)3)14-22(29)28(20)24/h5-12,15,20,24,26H,4,13-14H2,1-3H3/t20-,24?/m0/s1InChIKey
XVHDBELEXDOSCA-QHELBMECSA-NSynonyms
956974-49-5(12aS)6(2ethoxyphenyl)2(propan2yl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(2ethoxyphenyl)2isopropyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(2ethoxyphenyl)6propan2yl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400786
956974495
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C(C)C
InChI=1SC25H27N3O3c14312112861017(21)242318(169571119(16)2623)132025(30)27(15(2)3)1422(29)28(20)24h51215202426H41314H213H3t2024?m0s1
MFCD05672016
ZINC000002111716
ZINC000002111717
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