Vitas-M small molecule compound
(12aS)-2-cyclohexyl-6-(2,3-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536867
SMILES COc1cccc(c1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCCC1
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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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-34-23-14-8-12-19(27(23)35-2)26-25-20(18-11-6-7-13-21(18)29-25)15-22-28(33)30(16-24(32)31(22)26)17-9-4-3-5-10-17/h6-8,11-14,17,22,26,29H,3-5,9-10,15-16H2,1-2H3/t22-,26?/m0/s1InChIKey
CSGNPQAKKLDMQI-CHQVSRGASA-NSynonyms
956990-37-7(12aS)2cyclohexyl6(23dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclohexyl6(23dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclohexyl2(23dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399367
956990377
COc1cccc(c1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCC1
InChI=1SC28H31N3O4c134231481219(27(23)352)262520(1811671321(18)2925)152228(33)30(1624(32)31(22)26)1794351017h68111417222629H359101516H212H3t2226?m0s1
MFCD04143216
ZINC000002098790
ZINC000002098791
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