Vitas-M small molecule compound
methyl (2E)-5-(2-methoxyphenyl)-2-{[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL409007
SMILES COc1ccccc1c1s/c(=N/C(=O)c2cnn(c2C)c2ccccc2)/[nH]c1C(=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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-14-17(13-24-27(14)15-9-5-4-6-10-15)21(28)26-23-25-19(22(29)31-3)20(32-23)16-11-7-8-12-18(16)30-2/h4-13H,1-3H3,(H,25,26,28)InChIKey
LXIRQLWVNNZODB-UHFFFAOYSA-NSynonyms
1630861-03-81630861038
CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=NC(=C(S3)C4=CC=CC=C4OC)C(=O)OC
COc1ccccc1c1sc(=NC(=O)c2cnn(c2C)c2ccccc2)(nH)c1C(=O)OC
InChI=1SC23H20N4O4Sc11417(132427(14)1595461015)21(28)26232519(22(29)313)20(3223)1611781218(16)302h413H13H3(H252628)
methyl(2E)5(2methoxyphenyl)2(((5methyl1phenyl1Hpyrazol4yl)carbonyl)imino)23dihydro13thiazole4carboxylate
methyl5(2methoxyphenyl)2((5methyl1phenylpyrazole4carbonyl)amino)13thiazole4carboxylate
MFCD30705484
ZINC000170622259
ZINC170622259
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