Vitas-M small molecule compound
4-butyl 2-(2-methoxyethyl) 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
STK898041
SMILES CCCCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OCCOC
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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 C25H29N3O6S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6S/c1-5-6-12-33-24(30)20-16(2)21(25(31)34-14-13-32-4)35-22(20)26-15-19-17(3)27-28(23(19)29)18-10-8-7-9-11-18/h7-11,15,26H,5-6,12-14H2,1-4H3/b19-15+InChIKey
LGMNYJAVFMVGIT-XDJHFCHBSA-NSynonyms
4butyl2(2methoxyethyl)3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
4Obutyl2O(2methoxyethyl)3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CCCCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OCCOC
InChI=1SC25H29N3O6Sc156123324(30)2016(2)21(25(31)341413324)3522(20)26151917(3)2728(23(19)29)18108791118h7111526H561214H214H3b1915+
MFCD18172800
ZINC000044827069
ZINC44827069
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