Vitas-M small molecule compound

4-butyl 2-tert-butyl 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
STK898036
SMILES CCCCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC(C)(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 C26H31N3O5S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O5S/c1-7-8-14-33-24(31)20-16(2)21(25(32)34-26(4,5)6)35-22(20)27-15-19-17(3)28-29(23(19)30)18-12-10-9-11-13-18/h9-13,15,27H,7-8,14H2,1-6H3/b19-15+
InChIKey
WCBIAGDNKOSLDH-XDJHFCHBSA-N
Synonyms

4butyl2tertbutyl3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
4Obutyl2Otertbutyl3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CCCCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(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)C
InChI=1SC26H31N3O5Sc178143324(31)2016(2)21(25(32)3426(45)6)3522(20)27151917(3)2829(23(19)30)1812109111318h9131527H7814H216H3b1915+
MFCD18172795
ZINC000044827054
ZINC44827054

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Available files

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