Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(4-ethoxyphenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK036074
SMILES CCOc1ccc(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 C27H23ClN4O2S2 MW 535.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O2S2/c1-3-34-20-12-10-19(11-13-20)29-17(2)25-23(16-35-21-14-8-18(28)9-15-21)31-32(26(25)33)27-30-22-6-4-5-7-24(22)36-27/h4-15,29H,3,16H2,1-2H3/b25-17-InChIKey
GAICDTBHXVFPGO-UQQQWYQISA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1((4ETHOXYPHENYL)AMINO)ETHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4(1(4ETHOXYANILINO)ETHYLIDENE)PYRAZOL3ONE
CCOC1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl)C
CCOc1ccc(cc1)NC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)C
InChI=1SC27H23ClN4O2S2c133420121019(111320)2917(2)2523(16352114818(28)91521)3132(26(25)33)273022645724(22)3627h41529H316H212H3b2517
MFCD01829831
STK036074
ZINC000100246764
ZINC100246764
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