Vitas-M small molecule compound
(2E)-3-[2-(azepan-1-yl)-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
STK904650
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/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 C29H29N7O3 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N7O3/c1-20-25(29(39)36(33(20)2)22-12-6-5-7-13-22)32-27(37)21(19-30)18-23-26(34-15-9-3-4-10-16-34)31-24-14-8-11-17-35(24)28(23)38/h5-8,11-14,17-18H,3-4,9-10,15-16H2,1-2H3,(H,32,37)/b21-18+InChIKey
FCFJODRCPRBHNY-DYTRJAOYSA-NSynonyms
796877-40-2(2E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)prop2enamide
(E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)acrylamide
(E)3(2(AZEPAN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)PROP2ENAMIDE
796877402
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCCCCC5)C#N
InChI=1SC29H29N7O3c12025(29(39)36(33(20)2)22126571322)3227(37)21(1930)182326(3415934101634)3124148111735(24)28(23)38h5811141718H349101516H212H3(H3237)b2118+
MFCD03669188
N#CC(=Cc1c(nc2n(c1=O)cccc2)N1CCCCCC1)C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1
ZINC000002199801
ZINC2199801
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