Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(3-methylbutyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK015856
SMILES COc1ccc(cc1)C1=NN(C(=O)/C/1=C\NCCC(C)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 C23H24N4O2S MW 420.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S/c1-15(2)12-13-24-14-18-21(16-8-10-17(29-3)11-9-16)26-27(22(18)28)23-25-19-6-4-5-7-20(19)30-23/h4-11,14-15,24H,12-13H2,1-3H3/b18-14-InChIKey
ATNQHKILKTVDIJ-JXAWBTAJSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(4METHOXYPHENYL)4(((3METHYLBUTYL)AMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)5(4METHOXYPHENYL)4((3METHYLBUTYLAMINO)METHYLIDENE)PYRAZOL3ONE
CC(C)CCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC
COc1ccc(cc1)C1=NN(C(=O)C1=CNCCC(C)C)c1nc2c(s1)cccc2
InChI=1SC23H24N4O2Sc115(2)121324141821(1681017(293)11916)2627(22(18)28)232519645720(19)3023h411141524H1213H213H3b1814
MFCD08049620
STK015856
ZINC000006563643
ZINC06563643
ZINC6563643
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