Vitas-M small molecule compound
(12aS)-2-{[(E)-phenylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457927
SMILES O=C1N(/N=C/c2ccccc2)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 C21H18N4O2 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2/c26-20-13-25(22-11-14-6-2-1-3-7-14)21(27)19-10-16-15-8-4-5-9-17(15)23-18(16)12-24(19)20/h1-9,11,19,23H,10,12-13H2/b22-11+/t19-/m0/s1InChIKey
LQDLFBOPTPCJRW-QKXOWGBTSA-NSynonyms
(12aS)2(((E)phenylmethylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)benzalamino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2(benzylideneamino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=CC=CC=C5
InChI=1SC21H18N4O2c26201325(2211146213714)21(27)19101615845917(15)2318(16)1224(19)20h19111923H101213H2b2211+t19m0s1
MFCD03851173
O=C1N(N=Cc2ccccc2)CC(=O)N2(C@@H)1Cc1c(C2)(nH)c2c1cccc2
O=C1N(N=Cc2ccccc2)CC(=O)N2(C@H)1Cc1c(C2)(nH)c2c1cccc2
ZINC000002148465
ZINC38159599
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