Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3,4-dichlorobenzyl)amino]ethylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK055119
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\NCc1ccc(c(c1)Cl)Cl)/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 C27H22Cl2N4OS2 MW 553.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N4OS2/c1-16-7-10-19(11-8-16)35-15-23-25(17(2)30-14-18-9-12-20(28)21(29)13-18)26(34)33(32-23)27-31-22-5-3-4-6-24(22)36-27/h3-13,30H,14-15H2,1-2H3/b25-17-InChIKey
JPDZYMDHEDXBLI-UQQQWYQISA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1((34DICHLOROBENZYL)AMINO)ETHYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1((34DICHLOROPHENYL)METHYLAMINO)ETHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=C(C)NCC3=CC(=C(C=C3)Cl)Cl)C4=NC5=CC=CC=C5S4
Cc1ccc(cc1)SCC1=NN(C(=O)C1=C(NCc1ccc(c(c1)Cl)Cl)C)c1nc2c(s1)cccc2
InChI=1SC27H22Cl2N4OS2c11671019(11816)35152325(17(2)30141891220(28)21(29)1318)26(34)33(3223)273122534624(22)3627h31330H1415H212H3b2517
MFCD02643035
STK055119
ZINC000100641712
ZINC100641712
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