Vitas-M small molecule compound
(12aS)-2-(2-phenylethyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL546660
SMILES O=C1CN(CCc2ccccc2)C(=O)[C@H]2N1C(c1ccc(cc1)C(C)C)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 C31H31N3O2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O2/c1-20(2)22-12-14-23(15-13-22)30-29-25(24-10-6-7-11-26(24)32-29)18-27-31(36)33(19-28(35)34(27)30)17-16-21-8-4-3-5-9-21/h3-15,20,27,30,32H,16-19H2,1-2H3/t27-,30?/m0/s1InChIKey
LVNJRJQAJDEZLU-CEBUJLNPSA-NSynonyms
956954-16-8(12aS)2(2phenylethyl)6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(4isopropylphenyl)2phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(2phenylethyl)2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16398582
956954168
InChI=1SC31H31N3O2c120(2)22121423(151322)302925(2410671126(24)3229)182731(36)33(1928(35)34(27)30)1716218435921h31520273032H1619H212H3t2730?m0s1
MFCD03661831
O=C1CN(CCc2ccccc2)C(=O)(C@H)2N1C(c1ccc(cc1)C(C)C)c1c(C2)c2c((nH)1)cccc2
ZINC000002092060
ZINC000002092062
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