Vitas-M small molecule compound
ethyl 4-[({[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL071493
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC=C)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 C24H25N3O4S2 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O4S2/c1-3-13-27-22(29)20-17-7-5-6-8-18(17)33-21(20)26-24(27)32-14-19(28)25-16-11-9-15(10-12-16)23(30)31-4-2/h3,9-12H,1,4-8,13-14H2,2H3,(H,25,28)InChIKey
AUPNRUPLHDHQMH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
ethyl4((((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC24H25N3O4S2c13132722(29)2017756818(17)3321(20)2624(27)321419(28)251611915(101216)23(30)3142h3912H1481314H22H3(H2528)
MFCD03651336
ZINC000001465541
ZINC01465541
ZINC1465541
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