Vitas-M small molecule compound
(12aS)-2-cyclohexyl-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537978
SMILES CCOc1ccc(cc1OC)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 C29H33N3O4 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4/c1-3-36-24-14-13-18(15-25(24)35-2)28-27-21(20-11-7-8-12-22(20)30-27)16-23-29(34)31(17-26(33)32(23)28)19-9-5-4-6-10-19/h7-8,11-15,19,23,28,30H,3-6,9-10,16-17H2,1-2H3/t23-,28?/m0/s1InChIKey
MOQBQHVLRLHDPG-UHFKCPIBSA-NSynonyms
956975-00-1(12aS)2cyclohexyl6(4ethoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclohexyl6(4ethoxy3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclohexyl2(4ethoxy3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401483
956975001
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCC1
InChI=1SC29H33N3O4c133624141318(1525(24)352)282721(2011781222(20)3027)162329(34)31(1726(33)32(23)28)1995461019h78111519232830H369101617H212H3t2328?m0s1
MFCD05674899
ZINC000002120458
ZINC000002120459
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