Vitas-M small molecule compound
(12aR)-6-(4-methoxyphenyl)-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527947
SMILES COc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc(cc1)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 C29H27N3O3 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3/c1-18-7-9-19(10-8-18)16-31-17-26(33)32-25(29(31)34)15-23-22-5-3-4-6-24(22)30-27(23)28(32)20-11-13-21(35-2)14-12-20/h3-14,25,28,30H,15-17H2,1-2H3/t25-,28?/m1/s1InChIKey
HDRHSPSWXIOFCS-RXVAYIKUSA-NSynonyms
(12aR)6(4methoxyphenyl)2(4methylbenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(4methoxyphenyl)2(4methylbenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))2(4methoxyphenyl)6((4methylphenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639340
COc1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(cc1)C
InChI=1SC29H27N3O3c1187919(10818)16311726(33)3225(29(31)34)152322534624(22)3027(23)28(32)20111321(352)141220h314252830H1517H212H3t2528?m1s1
MFCD03661979
ZINC000016042431
ZINC000016042432
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