Vitas-M small molecule compound
propan-2-yl 4-(4-fluorophenyl)-5-methyl-2-{[(2E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STL171854
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2ccc(o2)[N+](=O)[O-])sc(c1c1ccc(cc1)F)C)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 C22H19FN2O6S MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O6S/c1-12(2)30-22(27)20-19(14-4-6-15(23)7-5-14)13(3)32-21(20)24-17(26)10-8-16-9-11-18(31-16)25(28)29/h4-12H,1-3H3,(H,24,26)/b10-8+InChIKey
WYXZIOGNGUFVAF-CSKARUKUSA-NSynonyms
515123-13-4515123134
CC(OC(=O)c1c(NC(=O)C=Cc2ccc(o2)(N+)(=O)(O))sc(c1c1ccc(cc1)F)C)C
CC1=C(C(=C(S1)NC(=O)C=CC2=CC=C(O2)(N+)(=O)(O))C(=O)OC(C)C)C3=CC=C(C=C3)F
InChI=1SC22H19FN2O6Sc112(2)3022(27)2019(144615(23)7514)13(3)3221(20)2417(26)1081691118(3116)25(28)29h412H13H3(H2426)b108+
ISOPROPYL4(4FLUOROPHENYL)2((3(5NITRO2FURYL)ACRYLOYL)AMINO)5METHYL3THIOPHENECARBOXYLATE
MFCD03758203
propan2yl4(4fluorophenyl)5methyl2(((2E)3(5nitrofuran2yl)prop2enoyl)amino)thiophene3carboxylate
PROPAN2YL4(4FLUOROPHENYL)5METHYL2(((E)3(5NITROFURAN2YL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
ZINC000000656588
ZINC00656588
ZINC656588
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