Vitas-M small molecule compound
propan-2-yl 2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK453195
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1sc(c(c1C(=O)OC(C)C)c1ccccc1)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 C23H22N2O6S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S/c1-13(2)31-23(27)20-19(15-8-6-5-7-9-15)14(3)32-22(20)24-21(26)16-10-11-18(30-4)17(12-16)25(28)29/h5-13H,1-4H3,(H,24,26)InChIKey
RMUKKEKJKZCCAY-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O))C(=O)OC(C)C)C3=CC=CC=C3
COc1ccc(cc1(N+)(=O)(O))C(=O)Nc1sc(c(c1C(=O)OC(C)C)c1ccccc1)C
InChI=1SC23H22N2O6Sc113(2)3123(27)2019(158657915)14(3)3222(20)2421(26)16101118(304)17(1216)25(28)29h513H14H3(H2426)
ISOPROPYL2((3NITRO4METHOXYBENZOYL)AMINO)5METHYL4PHENYL3THIOPHENECARBOXYLATE
METHYLETHYL2((4METHOXY3NITROPHENYL)CARBONYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
MFCD02607449
propan2yl2(((4methoxy3nitrophenyl)carbonyl)amino)5methyl4phenylthiophene3carboxylate
PROPAN2YL2((4METHOXY3NITROBENZOYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ZINC000000668913
ZINC00668913
ZINC668913
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