Vitas-M small molecule compound
(12aS)-2-benzyl-6-(3-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL538118
SMILES Cc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccccc1
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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 C28H25N3O2 MW 435.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O2/c1-18-8-7-11-20(14-18)27-26-22(21-12-5-6-13-23(21)29-26)15-24-28(33)30(17-25(32)31(24)27)16-19-9-3-2-4-10-19/h2-14,24,27,29H,15-17H2,1H3/t24-,27?/m0/s1InChIKey
XTLADFSUJOHWKD-BXXZMZEQSA-NSynonyms
956955-95-6(12aS)2benzyl6(3methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2benzyl6(mtolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6benzyl2(3methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399898
956955956
Cc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccccc1
InChI=1SC28H25N3O2c118871120(1418)272622(2112561323(21)2926)152428(33)30(1725(32)31(24)27)161993241019h214242729H1517H21H3t2427?m0s1
MFCD04146360
ZINC000002106282
ZINC000002106284
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