Vitas-M small molecule compound
methyl (2Z)-5-(3-fluorophenyl)-2-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL246892
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2cc(nn2C)c2ccccc2)/sc1c1cccc(c1)F
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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 C22H17FN4O3S MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN4O3S/c1-27-17(12-16(26-27)13-7-4-3-5-8-13)20(28)25-22-24-18(21(29)30-2)19(31-22)14-9-6-10-15(23)11-14/h3-12H,1-2H3,(H,24,25,28)InChIKey
VOUBACQXANEQFU-UHFFFAOYSA-NSynonyms
1374518-97-41374518974
CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)NC3=NC(=C(S3)C4=CC(=CC=C4)F)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2cc(nn2C)c2ccccc2)sc1c1cccc(c1)F
InChI=1SC22H17FN4O3Sc12717(1216(2627)137435813)20(28)25222418(21(29)302)19(3122)14961015(23)1114h312H12H3(H242528)
methyl(2Z)5(3fluorophenyl)2(((1methyl3phenyl1Hpyrazol5yl)carbonyl)imino)23dihydro13thiazole4carboxylate
methyl5(3fluorophenyl)2((2methyl5phenylpyrazole3carbonyl)amino)13thiazole4carboxylate
MFCD24860712
ZINC000072402979
ZINC72402979
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