Vitas-M small molecule compound
ethyl 2-methyl-5-{[(3-nitrophenyl)carbonyl](phenylsulfonyl)amino}-1-benzofuran-3-carboxylate
Catalog ID
STK238324
SMILES CCOC(=O)c1c(C)oc2c1cc(cc2)N(S(=O)(=O)c1ccccc1)C(=O)c1cccc(c1)[N+](=O)[O-]
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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 C25H20N2O8S MW 508.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O8S/c1-3-34-25(29)23-16(2)35-22-13-12-18(15-21(22)23)26(36(32,33)20-10-5-4-6-11-20)24(28)17-8-7-9-19(14-17)27(30)31/h4-15H,3H2,1-2H3InChIKey
HDYWLLGJFBADLR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)(N+)(=O)(O))S(=O)(=O)C4=CC=CC=C4)C
CCOC(=O)c1c(C)oc2c1cc(cc2)N(S(=O)(=O)c1ccccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
ethyl2methyl5(((3nitrophenyl)carbonyl)(phenylsulfonyl)amino)1benzofuran3carboxylate
ETHYL5(BENZENESULFONYL(3NITROBENZOYL)AMINO)2METHYL1BENZOFURAN3CARBOXYLATE
InChI=1SC25H20N2O8Sc133425(29)2316(2)3522131218(1521(22)23)26(36(3233)20105461120)24(28)1787919(1417)27(30)31h415H3H212H3
MFCD02345636
ZINC000008765802
ZINC08765802
ZINC8765802
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