Vitas-M small molecule compound
ethyl 4-[({(3Z)-3-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetyl)amino]benzoate
Catalog ID
STK813298
SMILES CCOCCCN1C(=S)S/C(=C/2\C(=O)N(c3c2cccc3)CC(=O)Nc2ccc(cc2)C(=O)OCC)/C1=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 C27H27N3O6S2 MW 553.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6S2/c1-3-35-15-7-14-29-25(33)23(38-27(29)37)22-19-8-5-6-9-20(19)30(24(22)32)16-21(31)28-18-12-10-17(11-13-18)26(34)36-4-2/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,28,31)/b23-22-InChIKey
DTQCGFXJBPVHIR-FCQUAONHSA-NSynonyms
617696-30-7617696307
CCOCCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)SC1=S
CCOCCCN1C(=S)SC(=C2C(=O)N(c3c2cccc3)CC(=O)Nc2ccc(cc2)C(=O)OCC)C1=O
ethyl4((((3Z)3(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetyl)amino)benzoate
ETHYL4((2((3Z)3(3(3ETHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETYL)AMINO)BENZOATE
ETHYL4(2(3(3(3ETHOXYPROPYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)ACETAMIDO)BENZOATE
InChI=1SC27H27N3O6S2c1335157142925(33)23(3827(29)37)2219856920(19)30(24(22)32)1621(31)2818121017(111318)26(34)3642h56813H3471416H212H3(H2831)b2322
MFCD03535291
ZINC000100871302
ZINC100871302
Check stock
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Check stock on Vitas-MAvailable files
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