Vitas-M small molecule compound
propan-2-yl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK080160
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)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 C24H24N2O5S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S/c1-13(2)31-24(28)21-14(3)25-18-11-16(20-8-5-9-32-20)12-19(27)23(18)22(21)15-6-4-7-17(10-15)26(29)30/h4-10,13,16,22,25H,11-12H2,1-3H3InChIKey
OLJMLEWBWNCCTG-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC(C)C
InChI=1SC24H24N2O5Sc113(2)3124(28)2114(3)25181116(208593220)1219(27)23(18)22(21)1564717(1015)26(29)30h41013162225H1112H213H3
MFCD02627277
propan2yl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK080160
ZINC000001184367
ZINC000001184370
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