Vitas-M small molecule compound
2-ethoxy-4-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl thiophene-2-carboxylate
Catalog ID
STK527582
SMILES CCOc1cc(ccc1OC(=O)c1cccs1)C1NC(=O)c2c(N1)sc1c2CCCC1
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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 C23H22N2O4S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S2/c1-2-28-16-12-13(9-10-15(16)29-23(27)18-8-5-11-30-18)20-24-21(26)19-14-6-3-4-7-17(14)31-22(19)25-20/h5,8-12,20,25H,2-4,6-7H2,1H3,(H,24,26)InChIKey
VDICKANHDCVDFC-UHFFFAOYSA-NSynonyms
328942-24-1(2ethoxy4(4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)thiophene2carboxylate
2ethoxy4(4oxo12345678octahydro(1)benzothieno(23d)pyrimidin2yl)phenylthiophene2carboxylate
2ethoxy4(4oxo12345678octahydrobenzo(45)thieno(23d)pyrimidin2yl)phenylthiophene2carboxylate
328942241
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC(=O)C5=CC=CS5
InChI=1SC23H22N2O4S2c1228161213(91015(16)2923(27)1885113018)202421(26)1914634717(14)3122(19)2520h58122025H2467H21H3(H2426)
MFCD01129676
ZINC000002286613
ZINC000002286614
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