Vitas-M small molecule compound
methyl 4-(4-ethylphenyl)-2-{[(2-methyl-3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK453850
SMILES COC(=O)c1c(scc1c1ccc(cc1)CC)NC(=O)c1cccc(c1C)[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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-4-14-8-10-15(11-9-14)17-12-30-21(19(17)22(26)29-3)23-20(25)16-6-5-7-18(13(16)2)24(27)28/h5-12H,4H2,1-3H3,(H,23,25)InChIKey
CKCDTLQEZLKSEC-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C(=CC=C3)(N+)(=O)(O))C
COC(=O)c1c(scc1c1ccc(cc1)CC)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC22H20N2O5Sc141481015(11914)17123021(19(17)22(26)293)2320(25)1665718(13(16)2)24(27)28h512H4H213H3(H2325)
methyl4(4ethylphenyl)2(((2methyl3nitrophenyl)carbonyl)amino)thiophene3carboxylate
METHYL4(4ETHYLPHENYL)2((2METHYL3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL4(4ETHYLPHENYL)2((2METHYL3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD02606248
ZINC000002760807
ZINC02760807
ZINC2760807
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