Vitas-M small molecule compound

butyl 6-methyl-2-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK898046
SMILES CCCCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc2c1CCC(C2)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 C25H29N3O3S MW 451.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O3S/c1-4-5-13-31-25(30)22-19-12-11-16(2)14-21(19)32-23(22)26-15-20-17(3)27-28(24(20)29)18-9-7-6-8-10-18/h6-10,15-16,26H,4-5,11-14H2,1-3H3/b20-15+
InChIKey
OAMCJYOKHFDLJI-HMMYKYKNSA-N
Synonyms

butyl6methyl2(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl6methyl2(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC=C3C(=NN(C3=O)C4=CC=CC=C4)C
CCCCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc2c1CCC(C2)C
InChI=1SC25H29N3O3Sc145133125(30)2219121116(2)1421(19)3223(22)26152017(3)2728(24(20)29)1897681018h610151626H451114H213H3b2015+
MFCD18172805
ZINC000044827088
ZINC000044827091

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Available files

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