Vitas-M small molecule compound
methyl (2E)-2-{[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL251336
SMILES COC(=O)c1[nH]/c(=N\C(=O)c2cnn(c2C)c2ccccc2)/sc1CC(C)C
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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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-12(2)10-16-17(19(26)27-4)22-20(28-16)23-18(25)15-11-21-24(13(15)3)14-8-6-5-7-9-14/h5-9,11-12H,10H2,1-4H3,(H,22,23,25)InChIKey
OAANFAXCFFFHJF-UHFFFAOYSA-NSynonyms
1380585-21-61380585216
CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=NC(=C(S3)CC(C)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2cnn(c2C)c2ccccc2)sc1CC(C)C
InChI=1SC20H22N4O3Sc112(2)101617(19(26)274)2220(2816)2318(25)15112124(13(15)3)148657914h591112H10H214H3(H222325)
methyl(2E)2(((5methyl1phenyl1Hpyrazol4yl)carbonyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2((5methyl1phenylpyrazole4carbonyl)amino)5(2methylpropyl)13thiazole4carboxylate
MFCD24852628
ZINC000079501544
ZINC79501544
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