Vitas-M small molecule compound
(12aS)-2-(3-chlorobenzyl)-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL548454
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1cccc(c1)Cl
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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/c1-2-36-25-13-6-4-11-21(25)28-27-22(20-10-3-5-12-23(20)31-27)15-24-29(35)32(17-26(34)33(24)28)16-18-8-7-9-19(30)14-18/h3-14,24,28,31H,2,15-17H2,1H3/t24-,28?/m0/s1InChIKey
YUHQYGXZNXYCBW-ZZDYIDRTSA-NSynonyms
957044-37-0(12aS)2(3chlorobenzyl)6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(3chlorobenzyl)6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6((3chlorophenyl)methyl)2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400741
957044370
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1cccc(c1)Cl
InChI=1SC29H26ClN3O3c12362513641121(25)282722(2010351223(20)3127)152429(35)32(1726(34)33(24)28)161887919(30)1418h314242831H21517H21H3t2428?m0s1
MFCD05671917
ZINC000002111516
ZINC000002111517
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