Vitas-M small molecule compound
methyl (4Z)-1-(3-bromophenyl)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168439
SMILES CCOc1cc(ccc1O)/C=C\1/C(=C(N(C1=O)c1cccc(c1)Br)C)C(=O)OC
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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 C22H20BrNO5 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5/c1-4-29-19-11-14(8-9-18(19)25)10-17-20(22(27)28-3)13(2)24(21(17)26)16-7-5-6-15(23)12-16/h5-12,25H,4H2,1-3H3/b17-10-InChIKey
GPPCSOUHOUZFKD-YVLHZVERSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=C(N(C2=O)C3=CC(=CC=C3)Br)C)C(=O)OC)O
CCOc1cc(ccc1O)C=C1C(=C(N(C1=O)c1cccc(c1)Br)C)C(=O)OC
InChI=1SC22H20BrNO5c1429191114(8918(19)25)101720(22(27)283)13(2)24(21(17)26)1675615(23)1216h51225H4H213H3b1710
METHYL(4Z)1(3BROMOPHENYL)4((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3BROMOPHENYL)4(3ETHOXY4HYDROXYBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD08680036
ZINC000009846949
ZINC09846949
ZINC9846949
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