Vitas-M small molecule compound

1-[(5Z)-5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide

Catalog ID
STK881610
SMILES CCSc1ccc(cc1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCC(CC1)C(=O)N)c1ccccc1

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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 C27H27N5O2S2 MW 517.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S2/c1-2-35-22-10-8-18(9-11-22)24-20(17-32(30-24)21-6-4-3-5-7-21)16-23-26(34)29-27(36-23)31-14-12-19(13-15-31)25(28)33/h3-11,16-17,19H,2,12-15H2,1H3,(H2,28,33)/b23-16-
InChIKey
YUPJEBDAWYMCDT-KQWNVCNZSA-N
Synonyms
1008878-93-0
(Z)1(5((3(4(ethylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)4oxo45dihydrothiazol2yl)piperidine4carboxamide
1((5Z)5((3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine4carboxamide
1((5Z)5((3(4ETHYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERIDINE4CARBOXAMIDE
1008878930
CCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5
CCSc1ccc(cc1)c1nn(cc1C=C1SC(=NC1=O)N1CCC(CC1)C(=O)N)c1ccccc1
InChI=1SC27H27N5O2S2c12352210818(91122)2420(1732(3024)216435721)162326(34)2927(3623)31141219(131531)25(28)33h311161719H21215H21H3(H22833)b2316
MFCD03689180
ZINC000009461907
ZINC09461907
ZINC9461907

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.