Vitas-M small molecule compound
methyl (2E)-2-[(2Z)-2-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-3-ethyl-1-methyl-2,3-dihydro-1H-benzimidazole-5-carboxylate
Catalog ID
STK374990
SMILES CCCCN1C(=S)S/C(=C\C=c\2/n(C)c3c(n2CC)cc(cc3)C(=O)OC)/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 C21H25N3O3S2 MW 431.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S2/c1-5-7-12-24-19(25)17(29-21(24)28)10-11-18-22(3)15-9-8-14(20(26)27-4)13-16(15)23(18)6-2/h8-11,13H,5-7,12H2,1-4H3/b17-10-,18-11+InChIKey
HPEBQTMWBXBRDE-ICFDZUSXSA-NSynonyms
CCCCN1C(=O)C(=CC=C2N(C3=C(N2CC)C=C(C=C3)C(=O)OC)C)SC1=S
CCCCN1C(=S)SC(=CC=c2n(C)c3c(n2CC)cc(cc3)C(=O)OC)C1=O
InChI=1SC21H25N3O3S2c157122419(25)17(2921(24)28)10111822(3)159814(20(26)274)1316(15)23(18)62h81113H5712H214H3b17101811+
METHYL(2E)2((2Z)2(3BUTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)ETHYLIDENE)3ETHYL1METHYLBENZIMIDAZOLE5CARBOXYLATE
methyl(2E)2((2Z)2(3butyl4oxo2thioxo13thiazolidin5ylidene)ethylidene)3ethyl1methyl23dihydro1Hbenzimidazole5carboxylate
METHYL2(2(3BUTYL4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))ETHYLIDENE)3ETHYL1METHYL3HYDROBENZIMIDAZOLE5CARBOXYLATE
MFCD01106815
ZINC000004045340
ZINC04045340
ZINC4045340
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