Vitas-M small molecule compound
3-(4-oxo-2-thioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl)propanoic acid
Catalog ID
STL124532
SMILES OC(=O)CCn1c(=S)[nH]c2c(c1=O)oc1c2cccc1
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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 C13H10N2O4S MW 290.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N2O4S/c16-9(17)5-6-15-12(18)11-10(14-13(15)20)7-3-1-2-4-8(7)19-11/h1-4H,5-6H2,(H,14,20)(H,16,17)InChIKey
WEXCKJAGXYRKFJ-UHFFFAOYSA-NSynonyms
951304-88-43(4oxo2sulfanylidene1H(1)benzofuro(32d)pyrimidin3yl)propanoicacid
3(4oxo2thioxo14dihydro(1)benzofuro(32d)pyrimidin3(2H)yl)propanoicacid
951304884
C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C(=S)N3)CCC(=O)O
InChI=1SC13H10N2O4Sc169(17)561512(18)1110(1413(15)20)731248(7)1911h14H56H2(H1420)(H1617)
MFCD17780186
OC(=O)CCn1c(=S)(nH)c2c(c1=O)oc1c2cccc1
ZINC000101389083
ZINC101389083
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