Vitas-M small molecule compound
(12aS)-2-cyclohexyl-6-(2,4-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537735
SMILES COc1cc(OC)ccc1C1N2C(=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/c1-34-18-12-13-20(24(14-18)35-2)27-26-21(19-10-6-7-11-22(19)29-26)15-23-28(33)30(16-25(32)31(23)27)17-8-4-3-5-9-17/h6-7,10-14,17,23,27,29H,3-5,8-9,15-16H2,1-2H3/t23-,27?/m0/s1InChIKey
QMPLYLVKBVFWIO-DCCUJTHKSA-NSynonyms
956955-78-5(12aS)2cyclohexyl6(24dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclohexyl6(24dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclohexyl2(24dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399847
956955785
COc1cc(OC)ccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCC1
InChI=1SC28H31N3O4c13418121320(24(1418)352)272621(1910671122(19)2926)152328(33)30(1625(32)31(23)27)178435917h67101417232729H35891516H212H3t2327?m0s1
MFCD04146061
ZINC000002104948
ZINC000002104949
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