Vitas-M small molecule compound
(12aS)-6-(2,3-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537265
SMILES COc1ccc(cc1)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2OC)OC)[nH]c2c1cccc2
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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 C31H31N3O5 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5/c1-37-20-13-11-19(12-14-20)15-16-33-18-27(35)34-25(31(33)36)17-23-21-7-4-5-9-24(21)32-28(23)29(34)22-8-6-10-26(38-2)30(22)39-3/h4-14,25,29,32H,15-18H2,1-3H3/t25-,29?/m0/s1InChIKey
HFKBTWQSHZKXSB-GMMLNUAGSA-NSynonyms
956933-16-7(12aS)6(23dimethoxyphenyl)2(2(4methoxyphenyl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(23dimethoxyphenyl)2(4methoxyphenethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(23dimethoxyphenyl)6(2(4methoxyphenyl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399336
956933167
COc1ccc(cc1)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2OC)OC)(nH)c2c1cccc2
InChI=1SC31H31N3O5c13720131119(121420)1516331827(35)3425(31(33)36)172321745924(21)3228(23)29(34)22861026(382)30(22)393h414252932H1518H213H3t2529?m0s1
MFCD04143004
ZINC000002098234
ZINC000002098236
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