Vitas-M small molecule compound
(2E)-3-[2-(4-chlorophenoxy)-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
STK817751
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)Cl)nc2n(c1=O)cccc2)/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 C29H21ClN6O4 MW 552.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN6O4/c1-18-25(29(39)36(34(18)2)21-8-4-3-5-9-21)33-26(37)19(17-31)16-23-27(40-22-13-11-20(30)12-14-22)32-24-10-6-7-15-35(24)28(23)38/h3-16H,1-2H3,(H,33,37)/b19-16+InChIKey
RWBWOAOSIRKKPH-KNTRCKAVSA-NSynonyms
620106-22-1(2E)3(2(4chlorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)prop2enamide
(E)3(2(4chlorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)acrylamide
(E)3(2(4CHLOROPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)PROP2ENAMIDE
620106221
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)OC5=CC=C(C=C5)Cl)C#N
InChI=1SC29H21ClN6O4c11825(29(39)36(34(18)2)218435921)3326(37)19(1731)162327(4022131120(30)121422)322410671535(24)28(23)38h316H12H3(H3337)b1916+
MFCD05733362
N#CC(=Cc1c(Oc2ccc(cc2)Cl)nc2n(c1=O)cccc2)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
ZINC000053336815
ZINC53336815
Check stock
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