Vitas-M small molecule compound
(12aR)-2-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527991
SMILES O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]2N1C(CCc1ccccc1)c1c(C2)c2c([nH]1)cccc2
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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 C30H27N3O4 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O4/c34-28-17-32(16-20-11-13-26-27(14-20)37-18-36-26)30(35)25-15-22-21-8-4-5-9-23(21)31-29(22)24(33(25)28)12-10-19-6-2-1-3-7-19/h1-9,11,13-14,24-25,31H,10,12,15-18H2/t24?,25-/m1/s1InChIKey
YZJCXRUNWHLEKM-WUBHUQEYSA-NSynonyms
(12aR)2(13benzodioxol5ylmethyl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(13benzodioxol5ylmethyl)2(2phenylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639352
InChI=1SC30H27N3O4c34281732(162011132627(1420)37183626)30(35)25152221845923(21)3129(22)24(33(25)28)1210196213719h19111314242531H10121518H2t24?25m1s1
MFCD03662249
O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)(C@H)2N1C(CCc1ccccc1)c1c(C2)c2c((nH)1)cccc2
ZINC000016031442
ZINC000016031444
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