Vitas-M small molecule compound
6-amino-4-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK766024
SMILES N#CC1=C(N)Oc2c(C1c1ccc3c(c1)OCO3)c(n[nH]2)c1ccc(cc1)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 C20H13ClN4O3 MW 392.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN4O3/c21-12-4-1-10(2-5-12)18-17-16(11-3-6-14-15(7-11)27-9-26-14)13(8-22)19(23)28-20(17)25-24-18/h1-7,16H,9,23H2,(H,24,25)InChIKey
AFJDPXSENYXIHZ-UHFFFAOYSA-NSynonyms
(4R)6AMINO4(13BENZODIOXOL5YL)3(4CHLOROPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
(4S)6AMINO4(13BENZODIOXOL5YL)3(4CHLOROPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6amino4(13benzodioxol5yl)3(4chlorophenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(13BENZODIOXOL5YL)3(4CHLOROPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
C1OC2=C(O1)C=C(C=C2)C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)Cl)N)C#N
InChI=1SC20H13ClN4O3c21124110(2512)181716(11361415(711)2792614)13(822)19(23)2820(17)252418h1716H923H2(H2425)
MFCD03035865
N#CC1=C(N)Oc2c(C1c1ccc3c(c1)OCO3)c(n(nH)2)c1ccc(cc1)Cl
ZINC000001068822
ZINC000001068824
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