Vitas-M small molecule compound
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
STL176711
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3ccc(s3)C)/C(=O)N2CC(C)C)sc2c1CCCC2
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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 C26H31N3O4S3 MW 545.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4S3/c1-5-33-25(32)22-18-8-6-7-9-20(18)36-23(22)28-21(30)14-34-26-27-19(12-17-11-10-16(4)35-17)24(31)29(26)13-15(2)3/h10-12,15H,5-9,13-14H2,1-4H3,(H,28,30)/b19-12+InChIKey
BAPLVBXFEBSNQW-XDHOZWIPSA-NSynonyms
676623-30-6676623306
CCOC(=O)C1=C(SC2=C1CCCC2)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)sc2c1CCCC2
ethyl2(((((4E)1(2methylpropyl)4((5methylthiophen2yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)1(2methylpropyl)4((5methylthiophen2yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H31N3O4S3c153325(32)2218867920(18)3623(22)2821(30)1434262719(1217111016(4)3517)24(31)29(26)1315(2)3h101215H591314H214H3(H2830)b1912+
MFCD04050454
ZINC000002785713
ZINC2785713
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