Vitas-M small molecule compound
ethyl 2-methyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK780290
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1scc(c1)CSc1nnnn1C)C(=O)CCC2
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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 C20H23N5O3S2 MW 445.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3S2/c1-4-28-19(27)16-11(2)21-13-6-5-7-14(26)17(13)18(16)15-8-12(9-29-15)10-30-20-22-23-24-25(20)3/h8-9,18,21H,4-7,10H2,1-3H3InChIKey
NREGBJCMZXTARQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CS3)CSC4=NN=NN4C)C(=O)CCC2)C
ethyl2methyl4(4(((1methyl1Htetrazol5yl)sulfanyl)methyl)thiophen2yl)5oxo145678hexahydroquinoline3carboxylate
ethyl2methyl4(4((1methyltetrazol5yl)sulfanylmethyl)thiophen2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC20H23N5O3S2c142819(27)1611(2)211365714(26)17(13)18(16)15812(92915)10302022232425(20)3h891821H4710H213H3
MFCD05860078
ZINC000019874006
ZINC000019874008
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