Vitas-M small molecule compound
(12bS)-7-(2-chlorophenyl)-2-(2-hydroxy-2-phenylethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL004399
SMILES OC(c1ccccc1)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccccc1Cl)cccc3
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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 C29H26ClN3O3 MW 500.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O3/c1-29-27-26(20-12-6-8-14-23(20)31-27)21(19-11-5-7-13-22(19)30)15-33(29)25(35)17-32(28(29)36)16-24(34)18-9-3-2-4-10-18/h2-14,21,24,31,34H,15-17H2,1H3/t21?,24?,29-/m0/s1InChIKey
CBWIUZCIPNAEMF-QGWLYYQKSA-NSynonyms
956914-17-3(12bS)7(2chlorophenyl)2(2hydroxy2phenylethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2chlorophenyl)2(2hydroxy2phenylethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)7(2chlorophenyl)2(2hydroxy2phenylethyl)12bmethyl36712tetrahydropyrazino(21a)$bcarboline14quinone
956914173
CC12C3=C(C(CN1C(=O)CN(C2=O)CC(C4=CC=CC=C4)O)C5=CC=CC=C5Cl)C6=CC=CC=C6N3
InChI=1SC29H26ClN3O3c1292726(2012681423(20)3127)21(1911571322(19)30)1533(29)25(35)1732(28(29)36)1624(34)1893241018h21421243134H1517H21H3t21?24?29m0s1
MFCD05675856
OC(c1ccccc1)CN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccccc1Cl)cccc3
ZINC000008952622
ZINC000012870797
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.