Vitas-M small molecule compound
prop-2-en-1-yl 2-{3-[(4-butoxyphenyl)carbonyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK816486
SMILES CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1sc(c(n1)C)C(=O)OCC=C
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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 C29H27N3O8S MW 577.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O8S/c1-4-6-15-39-21-12-10-18(11-13-21)24(33)22-23(19-8-7-9-20(16-19)32(37)38)31(27(35)25(22)34)29-30-17(3)26(41-29)28(36)40-14-5-2/h5,7-13,16,23,34H,2,4,6,14-15H2,1,3H3InChIKey
WWKZJINWBZLDOU-UHFFFAOYSA-NSynonyms
CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1sc(c(n1)C)C(=O)OCC=C
MFCD04518108
prop2en1yl2(3((4butoxyphenyl)carbonyl)4hydroxy2(3nitrophenyl)5oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
ZINC000098046709
ZINC000098046710
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Check stock on Vitas-MAvailable files
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