Vitas-M small molecule compound
methyl (2Z)-5-benzyl-2-({[4-(1H-tetrazol-1-yl)phenyl]acetyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL411111
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cc2ccc(cc2)n2cnnn2)/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 C21H18N6O3S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O3S/c1-30-20(29)19-17(11-14-5-3-2-4-6-14)31-21(24-19)23-18(28)12-15-7-9-16(10-8-15)27-13-22-25-26-27/h2-10,13H,11-12H2,1H3,(H,23,24,28)InChIKey
LXSISAUCAWRWGT-UHFFFAOYSA-NSynonyms
1574360-45-41574360454
COC(=O)c1(nH)c(=NC(=O)Cc2ccc(cc2)n2cnnn2)sc1Cc1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)CC2=CC=C(C=C2)N3C=NN=N3)CC4=CC=CC=C4
InChI=1SC21H18N6O3Sc13020(29)1917(11145324614)3121(2419)2318(28)12157916(10815)271322252627h21013H1112H21H3(H232428)
methyl(2Z)5benzyl2(((4(1Htetrazol1yl)phenyl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2((2(4(tetrazol1yl)phenyl)acetyl)amino)13thiazole4carboxylate
MFCD30706542
ZINC000096118245
ZINC96118245
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