Vitas-M small molecule compound
2-methoxy-4-[(E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STL167716
SMILES COc1cc(ccc1OC(=O)C)/C=N/n1c(S)nnc1c1n[nH]c2c1CCC2
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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 C18H18N6O3S MW 398.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O3S/c1-10(25)27-14-7-6-11(8-15(14)26-2)9-19-24-17(22-23-18(24)28)16-12-4-3-5-13(12)20-21-16/h6-9H,3-5H2,1-2H3,(H,20,21)(H,23,28)/b19-9+InChIKey
CCCJXFUFNWXHSS-DJKKODMXSA-NSynonyms
(2methoxy4((E)(5sulfanylidene3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazol4yl)iminomethyl)phenyl)acetate
2methoxy4((E)((3sulfanyl5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol4yl)imino)methyl)phenylacetate
4((1E)2(3SULFANYL5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL4YL))2AZAVINYL)2METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4)OC
COc1cc(ccc1OC(=O)C)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC18H18N6O3Sc110(25)27147611(815(14)262)9192417(222318(24)28)161243513(12)202116h69H35H212H3(H2021)(H2328)b199+
MFCD08532049
ZINC000019827529
ZINC103210219
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