Vitas-M small molecule compound
ethyl 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-carboxylate
Catalog ID
STK881657
SMILES CCOC(=O)C1CCN(CC1)C1=NC(=O)/C(=C/c2cn(nc2c2ccc(cc2)SCC)c2ccccc2)/S1
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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 C29H30N4O3S2 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S2/c1-3-36-28(35)21-14-16-32(17-15-21)29-30-27(34)25(38-29)18-22-19-33(23-8-6-5-7-9-23)31-26(22)20-10-12-24(13-11-20)37-4-2/h5-13,18-19,21H,3-4,14-17H2,1-2H3/b25-18-InChIKey
CSUZCCUHCVJWMM-BWAHOGKJSA-NSynonyms
1009433-92-4(Z)ethyl1(5((3(4(ethylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)4oxo45dihydrothiazol2yl)piperidine4carboxylate
1009433924
CCOC(=O)C1CCN(CC1)C1=NC(=O)C(=Cc2cn(nc2c2ccc(cc2)SCC)c2ccccc2)S1
CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)SCC)C5=CC=CC=C5)S2
ethyl1((5Z)5((3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine4carboxylate
ETHYL1((5Z)5((3(4ETHYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC29H30N4O3S2c133628(35)21141632(171521)293027(34)25(3829)18221933(238657923)3126(22)20101224(131120)3742h513181921H341417H212H3b2518
MFCD03687632
ZINC000101006953
ZINC101006953
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Check stock on Vitas-MAvailable files
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