Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL098521
SMILES Cc1cccc(c1)CSc1nc2c3ccccc3oc2c(=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 C26H20N2O4S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4S/c1-16-5-4-6-18(11-16)14-33-26-27-23-19-7-2-3-8-20(19)32-24(23)25(29)28(26)13-17-9-10-21-22(12-17)31-15-30-21/h2-12H,13-15H2,1H3InChIKey
SFDJJZQXDMFCLK-UHFFFAOYSA-NSynonyms
1291842-65-31291842653
3(13benzodioxol5ylmethyl)2((3methylbenzyl)sulfanyl)(1)benzofuro(32d)pyrimidin4(3H)one
3(13benzodioxol5ylmethyl)2((3methylphenyl)methylsulfanyl)(1)benzofuro(32d)pyrimidin4one
CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)OC6=CC=CC=C63
InChI=1SC26H20N2O4Sc11654618(1116)143326272319723820(19)3224(23)25(29)28(26)13179102122(1217)31153021h212H1315H21H3
MFCD18789764
ZINC000067259792
ZINC67259792
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