Vitas-M small molecule compound

4-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Catalog ID
STK406165
SMILES COc1ccc(cc1)NC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(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 C27H27BrN2O5 MW 539.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O5/c1-14-23(26(32)30-15-5-7-16(33-4)8-6-15)24(17-9-21-22(10-18(17)28)35-13-34-21)25-19(29-14)11-27(2,3)12-20(25)31/h5-10,24,29H,11-13H2,1-4H3,(H,30,32)
InChIKey
FUKDUHQIGAJSOT-UHFFFAOYSA-N
Synonyms

4(6bromo13benzodioxol5yl)N(4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
4(6bromo13benzodioxol5yl)N(4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)NC5=CC=C(C=C5)OC
InChI=1SC27H27BrN2O5c11423(26(32)30155716(334)8615)24(1792122(1018(17)28)35133421)2519(2914)1127(23)1220(25)31h5102429H1113H214H3(H3032)
MFCD05986887
ZINC000001129926
ZINC000001129927

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Available files

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