Vitas-M small molecule compound
methyl {(5Z)-3-(4-ethoxyphenyl)-5-[3-methyl-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-2-thioxoimidazolidin-1-yl}acetate
Catalog ID
STL369456
SMILES CCOc1ccc(cc1)N1C(=S)N(/C(=C\c2ccc(c(c2)C)N2CCCC2)/C1=O)CC(=O)OC
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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 C26H29N3O4S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4S/c1-4-33-21-10-8-20(9-11-21)29-25(31)23(28(26(29)34)17-24(30)32-3)16-19-7-12-22(18(2)15-19)27-13-5-6-14-27/h7-12,15-16H,4-6,13-14,17H2,1-3H3/b23-16-InChIKey
IOGWBLKRWNEBKJ-KQWNVCNZSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)C)N(C2=S)CC(=O)OC
CCOc1ccc(cc1)N1C(=S)N(C(=Cc2ccc(c(c2)C)N2CCCC2)C1=O)CC(=O)OC
InChI=1SC26H29N3O4Sc14332110820(91121)2925(31)23(28(26(29)34)1724(30)323)161971222(18(2)1519)2713561427h7121516H46131417H213H3b2316
methyl((5Z)3(4ethoxyphenyl)5(3methyl4(pyrrolidin1yl)benzylidene)4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)3(4ETHOXYPHENYL)5((3METHYL4PYRROLIDIN1YLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04086777
ZINC000009296103
ZINC09296103
ZINC9296103
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