Vitas-M small molecule compound
methyl (2Z)-5-benzyl-2-{[3-phenyl-2-(1H-tetrazol-1-yl)propanoyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL408367
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(n2cnnn2)Cc2ccccc2)/sc1Cc1ccccc1
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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)19-18(13-16-10-6-3-7-11-16)32-22(24-19)25-20(29)17(28-14-23-26-27-28)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,24,25,29)InChIKey
NDLXBFUDLVBLDS-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c(=NC(=O)C(n2cnnn2)Cc2ccccc2)sc1Cc1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)C(CC2=CC=CC=C2)N3C=NN=N3)CC4=CC=CC=C4
InChI=1SC22H20N6O3Sc13121(30)1918(1316106371116)3222(2419)2520(29)17(281423262728)12158425915h2111417H1213H21H3(H242529)
methyl(2Z)5benzyl2((3phenyl2(1Htetrazol1yl)propanoyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2((3phenyl2(tetrazol1yl)propanoyl)amino)13thiazole4carboxylate
MFCD30705190
ZINC000096232388
ZINC000206243033
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