Vitas-M small molecule compound
ethyl 4-({[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK804361
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3
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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 C22H23N3O4S2 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S2/c1-3-29-21(28)13-8-10-14(11-9-13)23-17(26)12-30-22-24-19-18(20(27)25(22)2)15-6-4-5-7-16(15)31-19/h8-11H,3-7,12H2,1-2H3,(H,23,26)InChIKey
OEIDZGBTNVTSOD-UHFFFAOYSA-NSynonyms
332931-97-2332931972
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C
ethyl4((((3methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((3methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4(2((3methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
InChI=1SC22H23N3O4S2c132921(28)1381014(11913)2317(26)123022241918(20(27)25(22)2)15645716(15)3119h811H3712H212H3(H2326)
MFCD02739023
ZINC000001829081
ZINC01829081
ZINC1829081
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