Vitas-M small molecule compound
butan-2-yl 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
STK100259
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)OC)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 C29H30N2O8 MW 534.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O8/c1-5-15(2)39-29(33)26-16(3)30-21-10-18(17-6-8-19(36-4)9-7-17)11-23(32)28(21)27(26)20-12-24-25(38-14-37-24)13-22(20)31(34)35/h6-9,12-13,15,18,27,30H,5,10-11,14H2,1-4H3InChIKey
HCHAZMKINHPORA-UHFFFAOYSA-NSynonyms
butan2yl7(4methoxyphenyl)2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4methoxyphenyl)2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=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
CCC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)OC)C
InChI=1SC29H30N2O8c1515(2)3929(33)2616(3)30211018(176819(364)9717)1123(32)28(21)27(26)20122425(38143724)1322(20)31(34)35h69121315182730H5101114H214H3
MFCD01528077
ZINC000001024800
ZINC000169616265
Check stock
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