Vitas-M small molecule compound

4-butyl 2-propan-2-yl 3-methyl-5-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate

Catalog ID
STK898037
SMILES CCCCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC(C)C

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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 C25H29N3O5S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O5S/c1-6-7-13-32-24(30)20-16(4)21(25(31)33-15(2)3)34-22(20)26-14-19-17(5)27-28(23(19)29)18-11-9-8-10-12-18/h8-12,14-15,26H,6-7,13H2,1-5H3/b19-14+
InChIKey
VNCJCPGDCZBPNK-XMHGGMMESA-N
Synonyms

4butyl2propan2yl3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
4Obutyl2Opropan2yl3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CCCCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC(C)C
InChI=1SC25H29N3O5Sc167133224(30)2016(4)21(25(31)3315(2)3)3422(20)26141917(5)2728(23(19)29)181198101218h812141526H6713H215H3b1914+
MFCD18172796
ZINC000044827057
ZINC44827057

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Available files

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