Vitas-M small molecule compound
4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL048507
SMILES COc1ccc2c(c1/C=N/n1c(=S)[nH]nc1c1[nH]nc3c1CCC3)cccc2
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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 C20H18N6OS MW 390.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6OS/c1-27-17-10-9-12-5-2-3-6-13(12)15(17)11-21-26-19(24-25-20(26)28)18-14-7-4-8-16(14)22-23-18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,22,23)(H,25,28)/b21-11+InChIKey
CFWFZJAUTQCJRT-SRZZPIQSSA-NSynonyms
4(((E)(2methoxynaphthalen1yl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)24dihydro3H124triazole3thione
4((1E)2(2METHOXYNAPHTHYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(2methoxynaphthalen1yl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
COC1=C(C2=CC=CC=C2C=C1)C=NN3C(=NNC3=S)C4=NNC5=C4CCC5
COc1ccc2c(c1C=Nn1c(=S)(nH)nc1c1(nH)nc3c1CCC3)cccc2
InChI=1SC20H18N6OSc1271710912523613(12)15(17)11212619(242520(26)28)181474816(14)222318h2356911H478H21H3(H2223)(H2528)b2111+
MFCD05731995
ZINC000005458607
ZINC1294164
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