Vitas-M small molecule compound
ethyl 1-{(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperidine-3-carboxylate
Catalog ID
STK823836
SMILES CCOC(=O)C1CCCN(C1)C1=NC(=O)/C(=C/c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)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 C34H31ClN4O4S MW 627.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31ClN4O4S/c1-2-42-33(41)24-10-8-18-38(20-24)34-36-32(40)30(44-34)19-26-21-39(27-11-4-3-5-12-27)37-31(26)23-14-16-28(17-15-23)43-22-25-9-6-7-13-29(25)35/h3-7,9,11-17,19,21,24H,2,8,10,18,20,22H2,1H3/b30-19-InChIKey
WSWFCKHWKKNBKK-FSGOGVSDSA-NSynonyms
CCOC(=O)C1CCCN(C1)C1=NC(=O)C(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)S1
CCOC(=O)C1CCCN(C1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C6=CC=CC=C6)S2
ethyl1((5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo45dihydro13thiazol2yl)piperidine3carboxylate
ethyl1((5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)4oxo13thiazol2yl)piperidine3carboxylate
InChI=1SC34H31ClN4O4Sc124233(41)241081838(2024)343632(40)30(4434)19262139(27114351227)3731(26)23141628(171523)4322259671329(25)35h3791117192124H2810182022H21H3b3019
MFCD18075722
ZINC000097947197
ZINC000097947198
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