Vitas-M small molecule compound
(12aS)-2-cyclohexyl-6-(3,4-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537579
SMILES COc1cc(ccc1OC)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/c1-34-23-13-12-17(14-24(23)35-2)27-26-20(19-10-6-7-11-21(19)29-26)15-22-28(33)30(16-25(32)31(22)27)18-8-4-3-5-9-18/h6-7,10-14,18,22,27,29H,3-5,8-9,15-16H2,1-2H3/t22-,27?/m0/s1InChIKey
FZCAYKAAJHLYPE-YMQLSTQVSA-NSynonyms
956946-27-3(12aS)2cyclohexyl6(34dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclohexyl6(34dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclohexyl2(34dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399664
956946273
COc1cc(ccc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCC1
InChI=1SC28H31N3O4c13423131217(1424(23)352)272620(1910671121(19)2926)152228(33)30(1625(32)31(22)27)188435918h67101418222729H35891516H212H3t2227?m0s1
MFCD04144963
ZINC000002103007
ZINC000002103009
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