Vitas-M small molecule compound

(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(2-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537566
SMILES COc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc2c(c1)OCO2

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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 C29H25N3O5 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5/c1-35-23-9-5-3-7-19(23)28-27-20(18-6-2-4-8-21(18)30-27)13-22-29(34)31(15-26(33)32(22)28)14-17-10-11-24-25(12-17)37-16-36-24/h2-12,22,28,30H,13-16H2,1H3/t22-,28?/m0/s1
InChIKey
JURMBWDWCVAPOS-XYXHBKGXSA-N
Synonyms
956919-12-3
(12aS)2(13benzodioxol5ylmethyl)6(2methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6(2methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(13benzodioxol5ylmethyl)2(2methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401872
956919123
COc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc2c(c1)OCO2
InChI=1SC29H25N3O5c13523953719(23)282720(18624821(18)3027)132229(34)31(1526(33)32(22)28)141710112425(1217)37163624h212222830H1316H21H3t2228?m0s1
MFCD05677029
ZINC000002125420
ZINC000002125422

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Available files

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