Vitas-M small molecule compound
(12aS)-2-(furan-2-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
STL457962
SMILES O=C1CN(Cc2ccco2)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 C27H25N3O3 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3/c31-25-17-29(16-19-9-6-14-33-19)27(32)24-15-21-20-10-4-5-11-22(20)28-26(21)23(30(24)25)13-12-18-7-2-1-3-8-18/h1-11,14,23-24,28H,12-13,15-17H2/t23?,24-/m0/s1InChIKey
PTDDFBWIBIEQFY-CGAIIQECSA-NSynonyms
956993-93-4(12aS)2(2furfuryl)6phenethyl671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(12aS)2(furan2ylmethyl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(furan2ylmethyl)6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
956993934
C1C2C(=O)N(CC(=O)N2C(C3=C1C4=CC=CC=C4N3)CCC5=CC=CC=C5)CC6=CC=CO6
InChI=1SC27H25N3O3c31251729(161996143319)27(32)2415212010451122(20)2826(21)23(30(24)25)1312187213818h11114232428H12131517H2t23?24m0s1
MFCD03662042
O=C1CN(Cc2ccco2)C(=O)(C@H)2N1C(CCc1ccccc1)c1c(C2)c2c((nH)1)cccc2
ZINC000002148627
ZINC000002148630
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