Vitas-M small molecule compound
propan-2-yl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402914
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(C)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 C26H28N2O7S MW 512.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O7S/c1-5-34-20-12-16(10-18(25(20)30)28(32)33)23-22(26(31)35-13(2)3)14(4)27-17-9-15(11-19(29)24(17)23)21-7-6-8-36-21/h6-8,10,12-13,15,23,27,30H,5,9,11H2,1-4H3InChIKey
LQCAPZFOMOXRHZ-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC(C)C)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(C)C
InChI=1SC26H28N2O7Sc1534201216(1018(25(20)30)28(32)33)2322(26(31)3513(2)3)14(4)2717915(1119(29)24(17)23)217683621h6810121315232730H5911H214H3
MFCD03370946
propan2yl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000095201993
ZINC000095201996
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