Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopentylamino)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK055227
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\NC1CCCC1)/C)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 C25H26N4OS2 MW 462.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4OS2/c1-16-11-13-19(14-12-16)31-15-21-23(17(2)26-18-7-3-4-8-18)24(30)29(28-21)25-27-20-9-5-6-10-22(20)32-25/h5-6,9-14,18,26H,3-4,7-8,15H2,1-2H3/b23-17-InChIKey
SFPJXZJIFLODGJ-QJOMJCCJSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1(CYCLOPENTYLAMINO)ETHYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1(CYCLOPENTYLAMINO)ETHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=C(C)NC3CCCC3)C4=NC5=CC=CC=C5S4
Cc1ccc(cc1)SCC1=NN(C(=O)C1=C(NC1CCCC1)C)c1nc2c(s1)cccc2
InChI=1SC25H26N4OS2c116111319(141216)31152123(17(2)2618734818)24(30)29(2821)2527209561022(20)3225h569141826H347815H212H3b2317
MFCD08051292
STK055227
ZINC000101449032
ZINC101449032
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