Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK074170
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)OC
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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 C29H30N2O8S MW 566.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O8S/c1-4-40-10-9-37-29(33)26-16(2)30-21-11-18(17-5-7-19(36-3)8-6-17)12-23(32)28(21)27(26)20-13-24-25(39-15-38-24)14-22(20)31(34)35/h5-8,13-14,18,27,30H,4,9-12,15H2,1-3H3InChIKey
BXTPAMHHTFKSRS-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(4methoxyphenyl)2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(4methoxyphenyl)2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C
InChI=1SC29H30N2O8Sc14401093729(33)2616(2)30211118(175719(363)8617)1223(32)28(21)27(26)20132425(39153824)1422(20)31(34)35h581314182730H491215H213H3
MFCD01824407
STK074170
ZINC000002757611
ZINC000002757614
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