Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Catalog ID
STL080893
SMILES S=c1[nH]c2c3ccccc3oc2c(=O)n1Cc1ccc2c(c1)OCO2
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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 C18H12N2O4S MW 352.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O4S/c21-17-16-15(11-3-1-2-4-12(11)24-16)19-18(25)20(17)8-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,19,25)InChIKey
XLIRIGQECHWHQK-UHFFFAOYSA-NSynonyms
892287-67-13(13benzodioxol5ylmethyl)2sulfanylidene1H(1)benzofuro(32d)pyrimidin4one
3(13benzodioxol5ylmethyl)2thioxo23dihydro(1)benzofuro(32d)pyrimidin4(1H)one
892287671
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C5=CC=CC=C5O4)NC3=S
InChI=1SC18H12N2O4Sc21171615(11312412(11)2416)1918(25)20(17)810561314(710)2392213h17H89H2(H1925)
MFCD14727069
S=c1(nH)c2c3ccccc3oc2c(=O)n1Cc1ccc2c(c1)OCO2
ZINC000100021219
ZINC100021219
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