Vitas-M small molecule compound
ethyl (2E)-1,3-diethyl-2-[(2Z)-2-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-2,3-dihydro-1H-benzimidazole-5-carboxylate
Catalog ID
STK396560
SMILES CCOC(=O)c1ccc2c(c1)n(CC)/c(=C/C=C/1\SC(=S)N(C1=O)c1ccccc1)/n2CC
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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 C25H25N3O3S2 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S2/c1-4-26-19-13-12-17(24(30)31-6-3)16-20(19)27(5-2)22(26)15-14-21-23(29)28(25(32)33-21)18-10-8-7-9-11-18/h7-16H,4-6H2,1-3H3/b21-14-,22-15+InChIKey
AJFOMUSNSZTFHI-BILXGNRESA-NSynonyms
CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)CC
CCOC(=O)c1ccc2c(c1)n(CC)c(=CC=C1SC(=S)N(C1=O)c1ccccc1)n2CC
ETHYL(2E)13DIETHYL2((2Z)2(4OXO3PHENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)ETHYLIDENE)BENZIMIDAZOLE5CARBOXYLATE
ethyl(2E)13diethyl2((2Z)2(4oxo3phenyl2thioxo13thiazolidin5ylidene)ethylidene)23dihydro1Hbenzimidazole5carboxylate
ETHYL13DIETHYL2(2(4OXO3PHENYL2THIOXO13THIAZOLIDIN5YLIDENE)ETHYLIDENE)23DIHYDRO1HBENZIMIDAZOLE5CARBOXYLATE
InChI=1SC25H25N3O3S2c142619131217(24(30)3163)1620(19)27(52)22(26)15142123(29)28(25(32)3321)18108791118h716H46H213H3b21142215+
MFCD00603626
ZINC000101955874
ZINC101955874
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