Vitas-M small molecule compound

ethyl 2-({[(3-butyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STL029826
SMILES CCCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2c(c1=O)scc2

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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 C21H23N3O4S2 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S2/c1-3-5-11-24-19(26)18-16(10-12-29-18)23-21(24)30-13-17(25)22-15-9-7-6-8-14(15)20(27)28-4-2/h6-10,12H,3-5,11,13H2,1-2H3,(H,22,25)
InChIKey
CDVNRBMLWSJIBV-UHFFFAOYSA-N
Synonyms
1252863-91-4
1252863914
CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OCC
ethyl2((((3butyl4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl2((2(3butyl4oxothieno(32d)pyrimidin2yl)sulfanylacetyl)amino)benzoate
InChI=1SC21H23N3O4S2c135112419(26)1816(10122918)2321(24)301317(25)2215976814(15)20(27)2842h61012H351113H212H3(H2225)
MFCD18190102
ZINC000057426380
ZINC57426380

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.