Vitas-M small molecule compound
5-amino-3-{(Z)-2-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK377187
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(o1)c1cc(Cl)ccc1OC)/C#N
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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 C20H16ClN5O3 MW 409.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O3/c1-28-17-4-2-13(21)9-15(17)18-5-3-14(29-18)8-12(10-22)19-16(11-23)20(24)26(25-19)6-7-27/h2-5,8-9,27H,6-7,24H2,1H3/b12-8+InChIKey
MCQMDKAVUNWPGX-XYOKQWHBSA-NSynonyms
5amino3((Z)2(5(5chloro2methoxyphenyl)furan2yl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(5(5CHLORO2METHOXYPHENYL)FURAN2YL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
5AMINO3(2(5(5CHLORO2METHOXYPHENYL)2FURYL)1CYANOVINYL)1(2HYDROXYETHYL)1HPYRAZOLE4CARBONITRILE
COC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO
InChI=1SC20H16ClN5O3c128174213(21)915(17)185314(2918)812(1022)1916(1123)20(24)26(2519)6727h258927H6724H21H3b128+
MFCD01446519
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(o1)c1cc(Cl)ccc1OC)C#N
ZINC000004181265
ZINC04181265
ZINC4181265
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