Vitas-M small molecule compound
(12aS)-2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457901
SMILES O=C1N(/N=C/c2ccc3c(c2)OCO3)CC(=O)N2[C@H]1Cc1c(C2)[nH]c2c1cccc2
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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 C22H18N4O4 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4/c27-21-11-26(23-9-13-5-6-19-20(7-13)30-12-29-19)22(28)18-8-15-14-3-1-2-4-16(14)24-17(15)10-25(18)21/h1-7,9,18,24H,8,10-12H2/b23-9+/t18-/m0/s1InChIKey
NKDWEXWVDFDQCK-WVZWPQFDSA-NSynonyms
(12aS)2(((E)13benzodioxol5ylmethylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)piperonylideneamino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((benzo(d)(13)dioxol5ylmethylene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=CC6=C(C=C5)OCO6
InChI=1SC22H18N4O4c27211126(23913561920(713)30122919)22(28)1881514312416(14)2417(15)1025(18)21h1791824H81012H2b239+t18m0s1
MFCD03850999
O=C1N(N=Cc2ccc3c(c2)OCO3)CC(=O)N2(C@@H)1Cc1c(C2)(nH)c2c1cccc2
O=C1N(N=Cc2ccc3c(c2)OCO3)CC(=O)N2(C@H)1Cc1c(C2)(nH)c2c1cccc2
ZINC000011692247
ZINC33749842
Check stock
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Check stock on Vitas-MAvailable files
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