Vitas-M small molecule compound
methyl 4-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Catalog ID
STK742044
SMILES COC(=O)c1ccc(cc1)N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/C
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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 C27H21ClN4O3S2 MW 549.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O3S2/c1-16(29-19-11-7-17(8-12-19)26(34)35-2)24-22(15-36-20-13-9-18(28)10-14-20)31-32(25(24)33)27-30-21-5-3-4-6-23(21)37-27/h3-14,29H,15H2,1-2H3/b24-16-InChIKey
PGRHMMJZPWJKHL-JLPGSUDCSA-NSynonyms
(Z)methyl4((1(1(benzo(d)thiazol2yl)3(((4chlorophenyl)thio)methyl)5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)benzoate
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)NC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)C
InChI=1SC27H21ClN4O3S2c116(291911717(81219)26(34)352)2422(15362013918(28)101420)3132(25(24)33)273021534623(21)3727h31429H15H212H3b2416
methyl4(((1Z)1(1(13benzothiazol2yl)3(((4chlorophenyl)sulfanyl)methyl)5oxo15dihydro4Hpyrazol4ylidene)ethyl)amino)benzoate
METHYL4(((1Z)1(1(13BENZOTHIAZOL2YL)3((4CHLOROPHENYL)SULFANYLMETHYL)5OXOPYRAZOL4YLIDENE)ETHYL)AMINO)BENZOATE
MFCD02375593
ZINC000100918880
ZINC100918880
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.