Vitas-M small molecule compound
ethyl 4-({[(3-butyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL029807
SMILES CCCCn1c(SCC(=O)Nc2ccc(cc2)C(=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)22-15-8-6-14(7-9-15)20(27)28-4-2/h6-10,12H,3-5,11,13H2,1-2H3,(H,22,25)InChIKey
SICBVTUNJDEFSM-UHFFFAOYSA-NSynonyms
CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC
ethyl4((((3butyl4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2(3butyl4oxothieno(32d)pyrimidin2yl)sulfanylacetyl)amino)benzoate
InChI=1SC21H23N3O4S2c135112419(26)1816(10122918)2321(24)301317(25)22158614(7915)20(27)2842h61012H351113H212H3(H2225)
MFCD18190089
ZINC000057426369
ZINC57426369
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