Vitas-M small molecule compound
ethyl 2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757105
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CCC2)c1ccc(cc1)[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 C26H29N3O5S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O5S/c1-5-34-25(31)23-22(19-13-14-20(35-19)26(2,3)4)21-17(7-6-8-18(21)30)28(24(23)27)15-9-11-16(12-10-15)29(32)33/h9-14,22H,5-8,27H2,1-4H3InChIKey
AFSIGRSBAYPHPW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)C(C)(C)C)C(=O)CCC2)C4=CC=C(C=C4)(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CCC2)c1ccc(cc1)(N+)(=O)(O)
ethyl2amino4(5tertbutylthiophen2yl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2amino4(5tertbutylthiophen2yl)1(4nitrophenyl)5oxo4678tetrahydroquinoline3carboxylate
InChI=1SC26H29N3O5Sc153425(31)2322(19131420(3519)26(23)4)2117(76818(21)30)28(24(23)27)1591116(121015)29(32)33h91422H5827H214H3
MFCD01239514
ZINC000008405650
ZINC000008405655
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