Vitas-M small molecule compound
6-amino-4-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL379759
SMILES N#CC1=C(N)Oc2c(C1c1cc(I)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)c(C)n[nH]2
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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 C22H17Cl2IN4O3 MW 583.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2IN4O3/c1-10-18-19(14(8-26)21(27)32-22(18)29-28-10)12-5-16(25)20(17(6-12)30-2)31-9-11-3-4-13(23)7-15(11)24/h3-7,19H,9,27H2,1-2H3,(H,28,29)InChIKey
AKENJNUNAYUHSP-UHFFFAOYSA-NSynonyms
6amino4(4((24dichlorobenzyl)oxy)3iodo5methoxyphenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(4((24DICHLOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)I)OCC4=C(C=C(C=C4)Cl)Cl)OC
InChI=1SC22H17Cl2IN4O3c1101819(14(826)21(27)3222(18)292810)12516(25)20(17(612)302)319113413(23)715(11)24h3719H927H212H3(H2829)
MFCD05134073
N#CC1=C(N)Oc2c(C1c1cc(I)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)c(C)n(nH)2
ZINC000000661033
ZINC000000661035
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