Vitas-M small molecule compound

(2E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enamide

Catalog ID
STK817761
SMILES N#C/C(=C\c1c(Oc2ccccc2)nc2n(c1=O)cccc2)/C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1

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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 C29H22N6O4 MW 518.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N6O4/c1-19-25(29(38)35(33(19)2)21-11-5-3-6-12-21)32-26(36)20(18-30)17-23-27(39-22-13-7-4-8-14-22)31-24-15-9-10-16-34(24)28(23)37/h3-17H,1-2H3,(H,32,36)/b20-17+
InChIKey
QURBOUXDDKUCPZ-LVZFUZTISA-N
Synonyms
1164538-91-3
(2E)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)3(4oxo2phenoxy4Hpyrido(12a)pyrimidin3yl)prop2enamide
(E)2CYANON(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)3(4OXO2PHENOXY4HPYRIDO(12A)PYRIMIDIN3YL)ACRYLAMIDE
(E)2CYANON(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)3(4OXO2PHENOXYPYRIDO(12A)PYRIMIDIN3YL)PROP2ENAMIDE
1164538913
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)OC5=CC=CC=C5)C#N
InChI=1SC29H22N6O4c11925(29(38)35(33(19)2)21115361221)3226(36)20(1830)172327(3922137481422)3124159101634(24)28(23)37h317H12H3(H3236)b2017+
MFCD04447565
N#CC(=Cc1c(Oc2ccccc2)nc2n(c1=O)cccc2)C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1
ZINC000008682498
ZINC8682498

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Available files

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