Vitas-M small molecule compound
(12aS)-6,6-dimethyl-2-{[(E)-pyridin-3-ylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536987
SMILES O=C1N(/N=C/c2cccnc2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
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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 C22H21N5O2 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2/c1-22(2)20-16(15-7-3-4-8-17(15)25-20)10-18-21(29)26(13-19(28)27(18)22)24-12-14-6-5-9-23-11-14/h3-9,11-12,18,25H,10,13H2,1-2H3/b24-12+/t18-/m0/s1InChIKey
OAVNYPICESTUHH-AMAFCZHPSA-NSynonyms
956964-79-7(12aS)66dimethyl2(((E)pyridin3ylmethylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))22dimethyl6((~(E))pyridin3ylmethylideneamino)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(SE)66dimethyl2((pyridin3ylmethylene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
9560502
956964797
InChI=1SC22H21N5O2c122(2)2016(15734817(15)2520)101821(29)26(1319(28)27(18)22)241214659231114h3911121825H1013H212H3b2412+t18m0s1
O=C1N(N=Cc2cccnc2)CC(=O)N2(C@H)1Cc1c3ccccc3(nH)c1C2(C)C
ZINC000002103703
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