Vitas-M small molecule compound
(12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537480
SMILES COc1cc(CCN2CC(=O)N3[C@H](C2=O)Cc2c(C3C)[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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-15-24-18(17-6-4-5-7-19(17)26-24)13-20-25(30)27(14-23(29)28(15)20)11-10-16-8-9-21(31-2)22(12-16)32-3/h4-9,12,15,20,26H,10-11,13-14H2,1-3H3/t15?,20-/m0/s1InChIKey
VWYAVAOJXXYWFJ-MBABXSBOSA-NSynonyms
956946-07-9(12aS)2(2(34dimethoxyphenyl)ethyl)6methyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(34dimethoxyphenethyl)6methyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(2(34dimethoxyphenyl)ethyl)2methyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399612
956946079
COc1cc(CCN2CC(=O)N3(C@H)(C2=O)Cc2c(C3C)(nH)c3c2cccc3)ccc1OC
InChI=1SC25H27N3O4c1152418(17645719(17)2624)132025(30)27(1423(29)28(15)20)1110168921(312)22(1216)323h4912152026H10111314H213H3t15?20m0s1
MFCD04144627
ZINC000002102112
ZINC000002102113
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