Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-chlorobenzyl)amino]ethylidene}-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK027462
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/NCc1ccc(cc1)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 C26H20Cl2N4OS2 MW 539.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2N4OS2/c1-16(29-14-17-6-8-18(27)9-7-17)24-22(15-34-20-12-10-19(28)11-13-20)31-32(25(24)33)26-30-21-4-2-3-5-23(21)35-26/h2-13,29H,14-15H2,1H3/b24-16+InChIKey
YLMHYVHMHQXGEN-LFVJCYFKSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((4CHLOROBENZYL)AMINO)ETHYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1((4chlorophenyl)methylamino)ethylidene)5((4chlorophenyl)sulfanylmethyl)pyrazol3one
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NCC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(NCc1ccc(cc1)Cl)C)c1nc2c(s1)cccc2
InChI=1SC26H20Cl2N4OS2c116(2914176818(27)9717)2422(153420121019(28)111320)3132(25(24)33)263021423523(21)3526h21329H1415H21H3b2416+
MFCD08050135
STK027462
ZINC000097958112
ZINC97958112
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