Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(2-methoxyethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK895623
SMILES COCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
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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 C21H19ClN4O2S2 MW 458.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S2/c1-28-11-10-23-12-16-18(13-29-15-8-6-14(22)7-9-15)25-26(20(16)27)21-24-17-4-2-3-5-19(17)30-21/h2-9,12,23H,10-11,13H2,1H3/b16-12+InChIKey
XTESAXMRKWNYTC-FOWTUZBSSA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(((2methoxyethyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4((2METHOXYETHYLAMINO)METHYLIDENE)PYRAZOL3ONE
COCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
COCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl
InChI=1SC21H19ClN4O2S2c128111023121618(1329158614(22)7915)2526(20(16)27)212417423519(17)3021h291223H101113H21H3b1612+
MFCD06240681
ZINC000008694936
ZINC08694936
ZINC8694936
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