Vitas-M small molecule compound
propan-2-yl 3-{[(2E,5E)-5-{3-methoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]benzylidene}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Catalog ID
STK142013
SMILES COc1cc(ccc1OCC(=O)N1CCOCC1)/C=C\1/S/C(=N/c2cccc(c2)C(=O)OC(C)C)/NC1=O
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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 C27H29N3O7S MW 539.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O7S/c1-17(2)37-26(33)19-5-4-6-20(15-19)28-27-29-25(32)23(38-27)14-18-7-8-21(22(13-18)34-3)36-16-24(31)30-9-11-35-12-10-30/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,28,29,32)/b23-14+InChIKey
YJPSDHHHPZODRB-OEAKJJBVSA-NSynonyms
CC(C)OC(=O)C1=CC(=CC=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)OCC(=O)N4CCOCC4)OC)S2
COc1cc(ccc1OCC(=O)N1CCOCC1)C=C1SC(=Nc2cccc(c2)C(=O)OC(C)C)NC1=O
InChI=1SC27H29N3O7Sc117(2)3726(33)1954620(1519)28272925(32)23(3827)14187821(22(1318)343)361624(31)3091135121030h48131517H91216H213H3(H282932)b2314+
ISOPROPYL3((5(3METHOXY4(2(4MORPHOLINYL)2OXOETHOXY)BENZYLIDENE)4OXO13THIAZOLIDIN2YLIDENE)AMINO)BENZOATE
MFCD08675018
PROPAN2YL3(((2E5E)5(3METHOXY4(2(MORPHOLIN4YL)2OXOETHOXY)BENZYLIDENE)4OXO13THIAZOLIDIN2YLIDENE)AMINO)BENZOATE
PROPAN2YL3(((5E)5((3METHOXY4(2MORPHOLIN4YL2OXOETHOXY)PHENYL)METHYLIDENE)4OXO13THIAZOL2YL)AMINO)BENZOATE
ZINC000008437828
ZINC08437828
ZINC8437828
Check stock
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Check stock on Vitas-MAvailable files
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