Vitas-M small molecule compound
methyl 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
STK305383
SMILES COC(=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 C25H29N3O4S3 MW 531.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4S3/c1-14(2)12-28-23(30)18(11-16-10-9-15(3)34-16)26-25(28)33-13-20(29)27-22-21(24(31)32-4)17-7-5-6-8-19(17)35-22/h9-11,14H,5-8,12-13H2,1-4H3,(H,27,29)/b18-11+InChIKey
RRGXKKRQTPILDY-WOJGMQOQSA-NSynonyms
676639-43-3676639433
CC1=CC=C(S1)C=C2C(=O)N(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)CC(C)C
COC(=O)c1c(NC(=O)CSC2=NC(=Cc3ccc(s3)C)C(=O)N2CC(C)C)sc2c1CCCC2
InChI=1SC25H29N3O4S3c114(2)122823(30)18(111610915(3)3416)2625(28)331320(29)272221(24(31)324)17756819(17)3522h91114H581213H214H3(H2729)b1811+
methyl2(((((4E)1(2methylpropyl)4((5methylthiophen2yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4E)1(2methylpropyl)4((5methylthiophen2yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04050317
ZINC000002786096
ZINC2786096
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