Vitas-M small molecule compound
(12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL526952
SMILES COc1cc(CCN2CC(=O)N3[C@H](C2=O)Cc2c(C3(C)C)[nH]c3c2cccc3)ccc1OC
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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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-26(2)24-18(17-7-5-6-8-19(17)27-24)14-20-25(31)28(15-23(30)29(20)26)12-11-16-9-10-21(32-3)22(13-16)33-4/h5-10,13,20,27H,11-12,14-15H2,1-4H3/t20-/m0/s1InChIKey
CQDBPFQIPAFUAH-FQEVSTJZSA-NSynonyms
956048-74-1(12aS)2(2(34dimethoxyphenyl)ethyl)66dimethyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(2(34dimethoxyphenyl)ethyl)22dimethyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(S)2(34dimethoxyphenethyl)66dimethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
1769526
956048741
COc1cc(CCN2CC(=O)N3(C@H)(C2=O)Cc2c(C3(C)C)(nH)c3c2cccc3)ccc1OC
InChI=1SC26H29N3O4c126(2)2418(17756819(17)2724)142025(31)28(1523(30)29(20)26)12111691021(323)22(1316)334h510132027H11121415H214H3t20m0s1
MFCD03266360
ZINC000002114805
ZINC2114805
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