Vitas-M small molecule compound
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (2E)-3-(3-nitrophenyl)prop-2-enoate
Catalog ID
STK167579
SMILES N#CC(=C1c2cc(OC(=O)/C=C/c3cccc(c3)[N+](=O)[O-])cc3c2N(C1=O)C(C)(C)C=C3C)C#N
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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 C26H18N4O5 MW 466.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4O5/c1-15-12-26(2,3)29-24-20(15)10-19(11-21(24)23(25(29)32)17(13-27)14-28)35-22(31)8-7-16-5-4-6-18(9-16)30(33)34/h4-12H,1-3H3/b8-7+InChIKey
YHRLRDBYDBOMIJ-BQYQJAHWSA-NSynonyms
1(DICYANOMETHYLIDENE)446TRIMETHYL2OXO12DIHYDRO4HPYRROLO(321IJ)QUINOLIN8YL(2E)3(3NITROPHENYL)PROP2ENOATE
CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O))C(=C(C#N)C#N)C2=O)(C)C
InChI=1SC26H18N4O5c1151226(23)292420(15)1019(1121(24)23(25(29)32)17(1327)1428)3522(31)871654618(916)30(33)34h412H13H3b87+
MFCD04169176
N#CC(=C1c2cc(OC(=O)C=Cc3cccc(c3)(N+)(=O)(O))cc3c2N(C1=O)C(C)(C)C=C3C)C#N
ZINC000009846932
ZINC09846932
ZINC9846932
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