Vitas-M small molecule compound
ethyl 1-[(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate
Catalog ID
STK816635
SMILES CCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCC(CC1)C(=O)OCC)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 C30H31ClN4O4S MW 579.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN4O4S/c1-3-16-39-25-11-10-21(17-24(25)31)27-22(19-35(33-27)23-8-6-5-7-9-23)18-26-28(36)32-30(40-26)34-14-12-20(13-15-34)29(37)38-4-2/h5-11,17-20H,3-4,12-16H2,1-2H3/b26-18-InChIKey
ABCYFFNQQQGBGV-ITYLOYPMSA-NSynonyms
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)OCC)C5=CC=CC=C5)Cl
CCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=NC1=O)N1CCC(CC1)C(=O)OCC)c1ccccc1
ethyl1((5Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine4carboxylate
ETHYL1((5Z)5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERIDINE4CARBOXYLATE
InChI=1SC30H31ClN4O4Sc13163925111021(1724(25)31)2722(1935(3327)238657923)182628(36)3230(4026)34141220(131534)29(37)3842h5111720H341216H212H3b2618
MFCD04549970
ZINC000097946659
ZINC97946659
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