Vitas-M small molecule compound

(12bS)-7-(4-methoxyphenyl)-12b-methyl-2-(2-methylpropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529270
SMILES COc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CC(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 C26H29N3O3 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3/c1-16(2)13-28-15-22(30)29-14-20(17-9-11-18(32-4)12-10-17)23-19-7-5-6-8-21(19)27-24(23)26(29,3)25(28)31/h5-12,16,20,27H,13-15H2,1-4H3/t20?,26-/m0/s1
InChIKey
QHAKCBXNRUCPEX-GHZUAHJPSA-N
Synonyms
956991-24-5
(12bS)2isobutyl7(4methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)7(4methoxyphenyl)12bmethyl2(2methylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))9(4methoxyphenyl)2methyl4(2methylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403552
956991245
COc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CC(C)C
InChI=1SC26H29N3O3c116(2)13281522(30)291420(1791118(324)121017)2319756821(19)2724(23)26(293)25(28)31h512162027H1315H214H3t20?26m0s1
MFCD06496041
ZINC000008789899
ZINC000012880671

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Available files

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