Vitas-M small molecule compound
diethyl 3-methyl-5-({(E)-[3-methyl-1-(naphthalen-1-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STL359540
SMILES CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2cccc3c2cccc3)C)sc(c1C)C(=O)OCC
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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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-5-33-25(31)21-15(3)22(26(32)34-6-2)35-23(21)27-14-19-16(4)28-29(24(19)30)20-13-9-11-17-10-7-8-12-18(17)20/h7-14,27H,5-6H2,1-4H3/b19-14+InChIKey
LKRLZTPNIDMOAL-XMHGGMMESA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=NN(C2=O)C3=CC=CC4=CC=CC=C43)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2cccc3c2cccc3)C)sc(c1C)C(=O)OCC
diethyl3methyl5(((E)(3methyl1(naphthalen1yl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
diethyl3methyl5(((E)(3methyl1naphthalen1yl5oxopyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
InChI=1SC26H25N3O5Sc153325(31)2115(3)22(26(32)3462)3523(21)27141916(4)2829(24(19)30)20139111710781218(17)20h71427H56H214H3b1914+
MFCD28033744
ZINC000101112397
ZINC101112397
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