Vitas-M small molecule compound
methyl (2Z)-5-(3-fluorophenyl)-2-{[3-phenyl-2-(1H-tetrazol-1-yl)propanoyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL409342
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(n2cnnn2)Cc2ccccc2)/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 C21H17FN6O3S MW 452.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN6O3S/c1-31-20(30)17-18(14-8-5-9-15(22)11-14)32-21(24-17)25-19(29)16(28-12-23-26-27-28)10-13-6-3-2-4-7-13/h2-9,11-12,16H,10H2,1H3,(H,24,25,29)InChIKey
NSKKRAVAXGZFBL-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c(=NC(=O)C(n2cnnn2)Cc2ccccc2)sc1c1cccc(c1)F
COC(=O)C1=C(SC(=N1)NC(=O)C(CC2=CC=CC=C2)N3C=NN=N3)C4=CC(=CC=C4)F
InChI=1SC21H17FN6O3Sc13120(30)1718(1485915(22)1114)3221(2417)2519(29)16(281223262728)10136324713h29111216H10H21H3(H242529)
methyl(2Z)5(3fluorophenyl)2((3phenyl2(1Htetrazol1yl)propanoyl)imino)23dihydro13thiazole4carboxylate
methyl5(3fluorophenyl)2((3phenyl2(tetrazol1yl)propanoyl)amino)13thiazole4carboxylate
MFCD30705666
ZINC000096231807
ZINC000206253050
Check stock
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