Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-{[4-chloro-3-(trifluoromethyl)phenyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL447117
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\Nc1ccc(c(c1)C(F)(F)F)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 C26H17Cl2F3N4OS2 MW 593.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17Cl2F3N4OS2/c1-14(32-16-8-11-19(28)18(12-16)26(29,30)31)23-21(13-37-17-9-6-15(27)7-10-17)34-35(24(23)36)25-33-20-4-2-3-5-22(20)38-25/h2-12,32H,13H2,1H3/b23-14-InChIKey
NUFQOQRFMHCBKK-UCQKPKSFSA-NSynonyms
(4Z)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(1((4chloro3(trifluoromethyl)phenyl)amino)ethylidene)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4(1(4CHLORO3(TRIFLUOROMETHYL)ANILINO)ETHYLIDENE)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NC5=CC(=C(C=C5)Cl)C(F)(F)F
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(Nc1ccc(c(c1)C(F)(F)F)Cl)C)c1nc2c(s1)cccc2
InChI=1SC26H17Cl2F3N4OS2c114(321681119(28)18(1216)26(2930)31)2321(1337179615(27)71017)3435(24(23)36)253320423522(20)3825h21232H13H21H3b2314
MFCD06240679
ZINC000008749743
ZINC8749743
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