Vitas-M small molecule compound
4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL042597
SMILES COc1ccc(cc1Br)/C=N/n1c(S)nnc1c1[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 C16H15BrN6OS MW 419.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN6OS/c1-24-13-6-5-9(7-11(13)17)8-18-23-15(21-22-16(23)25)14-10-3-2-4-12(10)19-20-14/h5-8H,2-4H2,1H3,(H,19,20)(H,22,25)/b18-8+InChIKey
NMXIEDURMGPXOK-QGMBQPNBSA-NSynonyms
(E)4((3bromo4methoxybenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(3bromo4methoxyphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(3BROMO4METHOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(3bromo4methoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4)Br
COc1ccc(cc1Br)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
COc1ccc(cc1Br)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC16H15BrN6OSc12413659(711(13)17)8182315(212216(23)25)141032412(10)192014h58H24H21H3(H1920)(H2225)b188+
MFCD05725264
ZINC000009290804
ZINC1278954
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