Vitas-M small molecule compound
ethyl (2Z)-1,3-diethyl-2-{(2Z)-2-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]ethylidene}-2,3-dihydro-1H-benzimidazole-5-carboxylate
Catalog ID
STK381654
SMILES CCOC(=O)c1ccc2c(c1)n(CC)/c(=C\C=C\1/SC(=S)N(C1=O)CCc1ccccc1)/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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-4-28-21-13-12-20(26(32)33-6-3)18-22(21)29(5-2)24(28)15-14-23-25(31)30(27(34)35-23)17-16-19-10-8-7-9-11-19/h7-15,18H,4-6,16-17H2,1-3H3/b23-14-,24-15-InChIKey
DLRRUFHLHLXOHV-YBOYZMIGSA-NSynonyms
CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)CC
CCOC(=O)c1ccc2c(c1)n(CC)c(=CC=C1SC(=S)N(C1=O)CCc1ccccc1)n2CC
ethyl(2Z)13diethyl2((2Z)2(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)ethylidene)benzimidazole5carboxylate
ethyl(2Z)13diethyl2((2Z)2(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)ethylidene)23dihydro1Hbenzimidazole5carboxylate
ETHYL13DIETHYL2(2(4OXO3(2PHENYLETHYL)2THIOXO(13THIAZOLIDIN5YLIDENE))ETHYLIDENE)3HYDROBENZIMIDAZOLE5CARBOXYLATE
InChI=1SC27H29N3O3S2c142821131220(26(32)3363)1822(21)29(52)24(28)15142325(31)30(27(34)3523)171619108791119h71518H461617H213H3b23142415
MFCD02604271
ZINC000008722085
ZINC08722085
ZINC8722085
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