Vitas-M small molecule compound

(12aS)-2-{[(E)-furan-2-ylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL457902
SMILES O=C1CN(/N=C/c2ccco2)C(=O)[C@H]2N1Cc1[nH]c3c(c1C2)cccc3

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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 C19H16N4O3 MW 348.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O3/c24-18-11-23(20-9-12-4-3-7-26-12)19(25)17-8-14-13-5-1-2-6-15(13)21-16(14)10-22(17)18/h1-7,9,17,21H,8,10-11H2/b20-9+/t17-/m0/s1
InChIKey
RQYWIUHDNQFNRB-WZIKDTQPSA-N
Synonyms

(12aS)2(((E)furan2ylmethylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)2furfurylideneamino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((furan2ylmethylene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=CC=CO5
InChI=1SC19H16N4O3c24181123(209124372612)19(25)1781413512615(13)2116(14)1022(17)18h1791721H81011H2b209+t17m0s1
MFCD03854148
O=C1CN(N=Cc2ccco2)C(=O)(C@@H)2N1Cc1(nH)c3c(c1C2)cccc3
O=C1CN(N=Cc2ccco2)C(=O)(C@H)2N1Cc1(nH)c3c(c1C2)cccc3
ZINC000011692248
ZINC38191028

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Available files

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