Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(cyclohexylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK006499
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\NC1CCCCC1)c1nc2c(s1)cccc2
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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 C24H23ClN4OS2 MW 483.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4OS2/c25-16-10-12-18(13-11-16)31-15-21-19(14-26-17-6-2-1-3-7-17)23(30)29(28-21)24-27-20-8-4-5-9-22(20)32-24/h4-5,8-14,17,26H,1-3,6-7,15H2/b19-14-InChIKey
SSQZACHIYYETJB-RGEXLXHISA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4((CYCLOHEXYLAMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4((CYCLOHEXYLAMINO)METHYLIDENE)PYRAZOL3ONE
C1CCC(CC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=CNC1CCCCC1)c1nc2c(s1)cccc2
InChI=1SC24H23ClN4OS2c2516101218(131116)31152119(1426176213717)23(30)29(2821)242720845922(20)3224h458141726H136715H2b1914
MFCD03033525
STK006499
ZINC000101380221
ZINC101380221
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