Vitas-M small molecule compound
(12bS)-7-(3-methoxy-4-propoxyphenyl)-2,12b-dimethyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528791
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-5-12-33-20-11-10-16(13-21(20)32-4)18-14-29-22(30)15-28(3)25(31)26(29,2)24-23(18)17-8-6-7-9-19(17)27-24/h6-11,13,18,27H,5,12,14-15H2,1-4H3/t18?,26-/m0/s1InChIKey
RBQMCSDWDAZNGM-IHZSNKTASA-NSynonyms
957032-55-2(12bS)7(3methoxy4propoxyphenyl)212bdimethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3methoxy4propoxyphenyl)212bdimethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3methoxy4propoxyphenyl)24dimethyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402527
957032552
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C
InChI=1SC26H29N3O4c15123320111016(1321(20)324)18142922(30)1528(3)25(31)26(292)2423(18)17867919(17)2724h611131827H5121415H214H3t18?26m0s1
MFCD06493856
ZINC000008788808
ZINC000012877468
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