Vitas-M small molecule compound
4-[6-amino-5-cyano-3-(3,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl acetate
Catalog ID
STK996376
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OC(=O)C)c(n[nH]2)c1ccc(c(c1)Cl)Cl
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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 C22H16Cl2N4O4 MW 471.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N4O4/c1-10(29)31-16-6-4-11(8-17(16)30-2)18-13(9-25)21(26)32-22-19(18)20(27-28-22)12-3-5-14(23)15(24)7-12/h3-8,18H,26H2,1-2H3,(H,27,28)InChIKey
COXKUCWVPPCFJV-UHFFFAOYSA-NSynonyms
(4(6AMINO5CYANO3(34DICHLOROPHENYL)24DIHYDROPYRANO(23C)PYRAZOL4YL)2METHOXYPHENYL)ACETATE
4(6amino5cyano3(34dichlorophenyl)14dihydropyrano(23c)pyrazol4yl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC(=C(C=C4)Cl)Cl)N)C#N)OC
InChI=1SC22H16Cl2N4O4c110(29)31166411(817(16)302)1813(925)21(26)322219(18)20(272822)123514(23)15(24)712h3818H26H212H3(H2728)
MFCD02764420
N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)OC(=O)C)c(n(nH)2)c1ccc(c(c1)Cl)Cl
ZINC000000985570
ZINC000000985571
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