Vitas-M small molecule compound
(12aS)-6-(3-methoxyphenyl)-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
STL538027
SMILES COc1ccc(cc1)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)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 C30H29N3O4 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4/c1-36-21-12-10-19(11-13-21)14-15-32-18-27(34)33-26(30(32)35)17-24-23-8-3-4-9-25(23)31-28(24)29(33)20-6-5-7-22(16-20)37-2/h3-13,16,26,29,31H,14-15,17-18H2,1-2H3/t26-,29?/m0/s1InChIKey
HKBBTNWEDFDEJZ-QUWDGAPNSA-NSynonyms
957004-21-6(12aS)2(4methoxyphenethyl)6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3methoxyphenyl)2(2(4methoxyphenyl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3methoxyphenyl)6(2(4methoxyphenyl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399666
957004216
COc1ccc(cc1)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)OC)(nH)c2c1cccc2
InChI=1SC30H29N3O4c13621121019(111321)1415321827(34)3326(30(32)35)172423834925(23)3128(24)29(33)2065722(1620)372h31316262931H14151718H212H3t2629?m0s1
MFCD04144976
ZINC000002103044
ZINC000002103046
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