Vitas-M small molecule compound
ethyl 6-ethyl-2-{[({(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305259
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3ccc(s3)C)/C(=O)N2CC(C)C)sc2c1CCC(C2)CC
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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 C28H35N3O4S3 MW 573.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O4S3/c1-6-18-9-11-20-22(12-18)38-25(24(20)27(34)35-7-2)30-23(32)15-36-28-29-21(13-19-10-8-17(5)37-19)26(33)31(28)14-16(3)4/h8,10,13,16,18H,6-7,9,11-12,14-15H2,1-5H3,(H,30,32)/b21-13+InChIKey
GWOAOQWJODUBIF-FYJGNVAPSA-NSynonyms
676639-97-7676639977
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC(=CC4=CC=C(S4)C)C(=O)N3CC(C)C
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3ccc(s3)C)C(=O)N2CC(C)C)sc2c1CCC(C2)CC
ethyl6ethyl2(((((4E)1(2methylpropyl)4((5methylthiophen2yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((2((4E)1(2methylpropyl)4((5methylthiophen2yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H35N3O4S3c16189112022(1218)3825(24(20)27(34)3572)3023(32)1536282921(131910817(5)3719)26(33)31(28)1416(3)4h810131618H67911121415H215H3(H3032)b2113+
MFCD04050323
ZINC000002785663
ZINC000002785665
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.