Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methylbutyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK207966
SMILES CC(CCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)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 C24H26N4OS2 MW 450.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4OS2/c1-16(2)12-13-25-14-19-21(15-30-18-10-8-17(3)9-11-18)27-28(23(19)29)24-26-20-6-4-5-7-22(20)31-24/h4-11,14,16,25H,12-13,15H2,1-3H3/b19-14+
InChIKey
ZIJNNFZUPVDZCV-XMHGGMMESA-N
Synonyms

(4E)2(13benzothiazol2yl)4(((3methylbutyl)amino)methylidene)5(((4methylphenyl)sulfanyl)methyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((3METHYLBUTYLAMINO)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
1BENZOTHIAZOL2YL4(((3METHYLBUTYL)AMINO)METHYLENE)3((4METHYLPHENYLTHIO)METHYL)12DIAZOLIN5ONE
CC(CCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)C
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNCCC(C)C)C3=NC4=CC=CC=C4S3
InChI=1SC24H26N4OS2c116(2)121325141921(15301810817(3)91118)2728(23(19)29)242620645722(20)3124h411141625H121315H213H3b1914+
MFCD03194622
ZINC000100425226
ZINC100425226

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Available files

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