Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(2-fluorobenzyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK472703
SMILES N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1F)/C(=O)Nc1sccc1C(=O)OC
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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 C28H23FN4O5S MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN4O5S/c1-36-23-9-8-17(13-24(23)37-2)25-20(16-33(32-25)15-18-6-4-5-7-22(18)29)12-19(14-30)26(34)31-27-21(10-11-39-27)28(35)38-3/h4-13,16H,15H2,1-3H3,(H,31,34)/b19-12+InChIKey
PCTAXGIXRUNTDC-XDHOZWIPSA-NSynonyms
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=C(C=CS3)C(=O)OC)CC4=CC=CC=C4F)OC
InChI=1SC28H23FN4O5Sc136239817(1324(23)372)2520(1633(3225)1518645722(18)29)1219(1430)26(34)312721(10113927)28(35)383h41316H15H213H3(H3134)b1912+
methyl2(((2E)2cyano3(3(34dimethoxyphenyl)1(2fluorobenzyl)1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
methyl2(((E)2cyano3(3(34dimethoxyphenyl)1((2fluorophenyl)methyl)pyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
METHYL2((2E)3(3(34DIMETHOXYPHENYL)1((2FLUOROPHENYL)METHYL)PYRAZOL4YL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093057
N#CC(=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1F)C(=O)Nc1sccc1C(=O)OC
ZINC000097965804
ZINC97965804
Check stock
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Check stock on Vitas-MAvailable files
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