Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK674029
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-])N
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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 C29H30N4O5S MW 546.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O5S/c1-4-38-28(35)24-18-10-5-6-11-22(18)39-27(24)32-20-13-29(2,3)14-21(34)25(20)23(19(15-30)26(32)31)16-8-7-9-17(12-16)33(36)37/h7-9,12,23H,4-6,10-11,13-14,31H2,1-3H3InChIKey
YHZRXEVLJIHDRU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)CC(C4)(C)C
CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cccc(c1)(N+)(=O)(O))N
ethyl2(2amino3cyano77dimethyl4(3nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano77dimethyl4(3nitrophenyl)5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H30N4O5Sc143828(35)241810561122(18)3927(24)32201329(23)1421(34)25(20)23(19(1530)26(32)31)1687917(1216)33(36)37h791223H461011131431H213H3
MFCD01240678
ZINC000002188797
ZINC000002188798
Check stock
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