Vitas-M small molecule compound
4-[(E)-{[3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STL041204
SMILES OC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2
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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 C16H14N6O2S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O2S/c23-15(24)10-6-4-9(5-7-10)8-17-22-14(20-21-16(22)25)13-11-2-1-3-12(11)18-19-13/h4-8H,1-3H2,(H,18,19)(H,21,25)(H,23,24)/b17-8+InChIKey
HAEAFFSZELWILD-CAOOACKPSA-NSynonyms
4((1E)2(3SULFANYL5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL4YL))2AZAVINYL)BENZOICACID
4((E)((3(2456tetrahydrocyclopenta(c)pyrazol3yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(5sulfanylidene3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazol4yl)iminomethyl)benzoicacid
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=C(C=C4)C(=O)O
InChI=1SC16H14N6O2Sc2315(24)10649(5710)8172214(202116(22)25)131121312(11)181913h48H13H2(H1819)(H2125)(H2324)b178+
MFCD05730629
OC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1(nH)nc2c1CCC2
ZINC000009412475
ZINC2604231
Check stock
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Check stock on Vitas-MAvailable files
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