Vitas-M small molecule compound
4-{2-[(2-methoxy-2-oxoethyl)sulfanyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}benzoic acid
Catalog ID
STL079804
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C(=O)O)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 C20H18N2O5S2 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S2/c1-27-15(23)10-28-20-21-17-16(13-4-2-3-5-14(13)29-17)18(24)22(20)12-8-6-11(7-9-12)19(25)26/h6-9H,2-5,10H2,1H3,(H,25,26)InChIKey
YSWGIFWKWZZCHR-UHFFFAOYSA-NSynonyms
905768-93-64(2((2methoxy2oxoethyl)sulfanyl)4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)benzoicacid
4(2(2methoxy2oxoethyl)sulfanyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)benzoicacid
905768936
COC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)C(=O)O
InChI=1SC20H18N2O5S2c12715(23)102820211716(13423514(13)2917)18(24)22(20)128611(7912)19(25)26h69H2510H21H3(H2526)
MFCD08362495
ZINC000009763955
ZINC9763955
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