Vitas-M small molecule compound

ethyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK305261
SMILES COCCCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCC(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 C28H37N5O5S2 MW 587.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N5O5S2/c1-6-18-9-10-20-22(13-18)40-25(24(20)27(36)38-7-2)30-23(34)16-39-28-29-21(14-19-15-32(4)31-17(19)3)26(35)33(28)11-8-12-37-5/h14-15,18H,6-13,16H2,1-5H3,(H,30,34)/b21-14+
InChIKey
QFADMHYXSCZPMY-KGENOOAVSA-N
Synonyms
1005554-83-5
1005554835
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC(=CC4=CN(N=C4C)C)C(=O)N3CCCOC
COCCCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCC(C2)CC
ethyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(3methoxypropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1(3methoxypropyl)5oxoimidazol2yl)sulfanylacetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H37N5O5S2c16189102022(1318)4025(24(20)27(36)3872)3023(34)1639282921(14191532(4)3117(19)3)26(35)33(28)11812375h141518H61316H215H3(H3034)b2114+
MFCD04050464
ZINC000102000601
ZINC000102000610

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Available files

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