Vitas-M small molecule compound
propyl 4-[4-(butan-2-yl)phenyl]-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK450683
SMILES CCCOC(=O)c1c(scc1c1ccc(cc1)C(CC)C)NC(=O)/C=C/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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-4-15-34-27(31)25-23(21-12-10-20(11-13-21)18(3)5-2)17-35-26(25)28-24(30)14-9-19-7-6-8-22(16-19)29(32)33/h6-14,16-18H,4-5,15H2,1-3H3,(H,28,30)/b14-9+InChIKey
GRKUFHTZUNPAKB-NTEUORMPSA-NSynonyms
CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)CC)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
CCCOC(=O)c1c(scc1c1ccc(cc1)C(CC)C)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC27H28N2O5Sc14153427(31)2523(21121020(111321)18(3)52)173526(25)2824(30)1491976822(1619)29(32)33h6141618H4515H213H3(H2830)b149+
MFCD03071206
PROPYL2((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)4(4(METHYLPROPYL)PHENYL)THIOPHENE3CARBOXYLATE
propyl4(4(butan2yl)phenyl)2(((2E)3(3nitrophenyl)prop2enoyl)amino)thiophene3carboxylate
PROPYL4(4BUTAN2YLPHENYL)2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
PROPYL4(4SECBUTYLPHENYL)2((3(3NITROPHENYL)ACRYLOYL)AMINO)3THIOPHENECARBOXYLATE
ZINC000002090532
ZINC000002090537
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