Vitas-M small molecule compound
5-[(E)-{(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK178673
SMILES CCOc1ccc(cc1)/N=C/1\NC(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)/S1
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-28-15-8-6-14(7-9-15)22-20-23-19(26)18(29-20)12-13-5-10-16-17(11-13)25(3)21(27)24(16)2/h5-12H,4H2,1-3H3,(H,22,23,26)/b18-12+InChIKey
UOQIJXNTUFKUTA-LDADJPATSA-NSynonyms
(5E)5((13DIMETHYL2OXOBENZIMIDAZOL5YL)METHYLIDENE)2(4ETHOXYANILINO)13THIAZOL4ONE
5((E)((2E)2((4ETHOXYPHENYL)IMINO)4OXO13THIAZOLIDIN5YLIDENE)METHYL)13DIMETHYL13DIHYDRO2HBENZIMIDAZOL2ONE
CCOC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC4=C(C=C3)N(C(=O)N4C)C)S2
CCOc1ccc(cc1)N=C1NC(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)S1
InChI=1SC21H20N4O3Sc1428158614(7915)22202319(26)18(2920)12135101617(1113)25(3)21(27)24(16)2h512H4H213H3(H222326)b1812+
MFCD03068837
ZINC000004704887
ZINC04704887
ZINC4704887
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