Vitas-M small molecule compound
(12aR)-2-cyclohexyl-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527960
SMILES O=C1CN(C2CCCCC2)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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c32-26-18-30(20-11-5-2-6-12-20)28(33)25-17-22-21-13-7-8-14-23(21)29-27(22)24(31(25)26)16-15-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20,24-25,29H,2,5-6,11-12,15-18H2/t24?,25-/m1/s1InChIKey
ZDWFPXSTIVKVCP-WUBHUQEYSA-NSynonyms
(12aR)2cyclohexyl6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2cyclohexyl6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6cyclohexyl2(2phenylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639341
InChI=1SC28H31N3O2c32261830(20115261220)28(33)2517222113781423(21)2927(22)24(31(25)26)16151993141019h134710131420242529H25611121518H2t24?25m1s1
MFCD03661524
O=C1CN(C2CCCCC2)C(=O)(C@H)2N1C(CCc1ccccc1)c1c(C2)c2c((nH)1)cccc2
ZINC000016042168
ZINC000016042169
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