Vitas-M small molecule compound
4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL048840
SMILES Sc1nnc(n1/N=C/C=C/c1ccco1)c1[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 C15H14N6OS MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N6OS/c23-15-20-19-14(13-11-6-1-7-12(11)17-18-13)21(15)16-8-2-4-10-5-3-9-22-10/h2-5,8-9H,1,6-7H2,(H,17,18)(H,20,23)/b4-2+,16-8+InChIKey
QNHXZESVEAJTLD-JJJMAJKISA-NSynonyms
4(((1E2E)3(furan2yl)prop2en1ylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E3E)4(2FURYL)1AZABUTA13DIENYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)((E)3(furan2yl)allylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((E)((E)3(furan2yl)prop2enylidene)amino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC=CC4=CC=CO4
InChI=1SC15H14N6OSc2315201914(131161712(11)171813)21(15)16824105392210h2589H167H2(H1718)(H2023)b42+168+
MFCD05733425
Sc1nnc(n1N=CC=Cc1ccco1)c1(nH)nc2c1CCC2
Sc1nnc(n1N=CC=Cc1ccco1)c1n(nH)c2c1CCC2
ZINC000009358954
ZINC15986226
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