Vitas-M small molecule compound

(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

Catalog ID
STK819147
SMILES N#C/C(=C\c1c(Oc2ccccc2Cl)nc2n(c1=O)cccc2C)/C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

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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 C30H23ClN6O4 MW 567.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN6O4/c1-18-10-9-15-36-26(18)34-28(41-24-14-8-7-13-23(24)31)22(29(36)39)16-20(17-32)27(38)33-25-19(2)35(3)37(30(25)40)21-11-5-4-6-12-21/h4-16H,1-3H3,(H,33,38)/b20-16+
InChIKey
DOUKYWMZLBQBLI-CAPFRKAQSA-N
Synonyms
620113-37-3
(2E)3(2(2chlorophenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)prop2enamide
(E)3(2(2chlorophenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)acrylamide
(E)3(2(2CHLOROPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)PROP2ENAMIDE
620113373
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OC5=CC=CC=C5Cl
InChI=1SC30H23ClN6O4c118109153626(18)3428(412414871323(24)31)22(29(36)39)1620(1732)27(38)332519(2)35(3)37(30(25)40)21115461221h416H13H3(H3338)b2016+
MFCD05737043
N#CC(=Cc1c(Oc2ccccc2Cl)nc2n(c1=O)cccc2C)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
ZINC000097946761
ZINC97946761

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Available files

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