Vitas-M small molecule compound
methyl (2Z)-5-benzyl-2-{[phenyl(1H-tetrazol-1-yl)acetyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL316834
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(n2cnnn2)c2ccccc2)/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)17-16(12-14-8-4-2-5-9-14)31-21(23-17)24-19(28)18(27-13-22-25-26-27)15-10-6-3-7-11-15/h2-11,13,18H,12H2,1H3,(H,23,24,28)InChIKey
KTNVAAFTMPMRMA-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c(=NC(=O)C(n2cnnn2)c2ccccc2)sc1Cc1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)C(C2=CC=CC=C2)N3C=NN=N3)CC4=CC=CC=C4
InChI=1SC21H18N6O3Sc13020(29)1716(12148425914)3121(2317)2419(28)18(271322252627)15106371115h2111318H12H21H3(H232428)
methyl(2Z)5benzyl2((phenyl(1Htetrazol1yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2((2phenyl2(tetrazol1yl)acetyl)amino)13thiazole4carboxylate
MFCD28028041
ZINC000095478062
ZINC000095478063
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