Vitas-M small molecule compound
(12aR)-2-benzyl-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
STL527808
SMILES O=C1CN(Cc2ccccc2)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 C30H29N3O2 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O2/c1-19(2)21-12-14-22(15-13-21)29-28-24(23-10-6-7-11-25(23)31-28)16-26-30(35)32(18-27(34)33(26)29)17-20-8-4-3-5-9-20/h3-15,19,26,29,31H,16-18H2,1-2H3/t26-,29?/m1/s1InChIKey
QDXBALMFVQFFLF-QZWVJJBASA-NSynonyms
(12aR)2benzyl6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2benzyl6(4isopropylphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6benzyl2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639313
InChI=1SC30H29N3O2c119(2)21121422(151321)292824(2310671125(23)3128)162630(35)32(1827(34)33(26)29)17208435920h31519262931H1618H212H3t2629?m1s1
MFCD03661898
O=C1CN(Cc2ccccc2)C(=O)(C@H)2N1C(c1ccc(cc1)C(C)C)c1c(C2)c2c((nH)1)cccc2
ZINC000016042354
ZINC000016042355
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