Vitas-M small molecule compound
ethyl 4-[3-(4-bromophenyl)-1',3',4,6-tetraoxo-1',3',3a,4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl]benzoate
Catalog ID
STL042553
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(OC2c2ccc(cc2)Br)C(=O)c2c(C1=O)cccc2
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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 C29H20BrNO7 MW 574.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20BrNO7/c1-2-37-28(36)16-9-13-18(14-10-16)31-26(34)21-22(27(31)35)29(38-23(21)15-7-11-17(30)12-8-15)24(32)19-5-3-4-6-20(19)25(29)33/h3-14,21-23H,2H2,1H3InChIKey
NMECJMQVTFBPMX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=C(C=C6)Br
ethyl4(1(4bromophenyl)1346tetraoxospiro(3a6adihydro1Hfuro(34c)pyrrole32indene)5yl)benzoate
ethyl4(3(4bromophenyl)1346tetraoxo133a466ahexahydrospiro(furo(34c)pyrrole12inden)5(3H)yl)benzoate
ethyl4(3(4bromophenyl)1346tetraoxo13a3466ahexahydrospiro(furo(34c)pyrrole12inden)5(3H)yl)benzoate
InChI=1SC29H20BrNO7c123728(36)1691318(141016)3126(34)2122(27(31)35)29(3823(21)1571117(30)12815)24(32)19534620(19)25(29)33h3142123H2H21H3
MFCD01088192
ZINC000102869488
ZINC000245246781
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