Vitas-M small molecule compound
methyl (2Z)-5-(2-phenylethyl)-2-{[phenyl(1H-tetrazol-1-yl)acetyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL313775
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(n2cnnn2)c2ccccc2)/sc1CCc1ccccc1
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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 C22H20N6O3S MW 448.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O3S/c1-31-21(30)18-17(13-12-15-8-4-2-5-9-15)32-22(24-18)25-20(29)19(28-14-23-26-27-28)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3,(H,24,25,29)InChIKey
LXYCXZLBTUJVPH-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c(=NC(=O)C(n2cnnn2)c2ccccc2)sc1CCc1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)C(C2=CC=CC=C2)N3C=NN=N3)CCC4=CC=CC=C4
InChI=1SC22H20N6O3Sc13121(30)1817(1312158425915)3222(2418)2520(29)19(281423262728)16106371116h2111419H1213H21H3(H242529)
methyl(2Z)5(2phenylethyl)2((phenyl(1Htetrazol1yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5(2phenylethyl)2((2phenyl2(tetrazol1yl)acetyl)amino)13thiazole4carboxylate
MFCD28030311
ZINC000079481960
ZINC000095475839
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