Vitas-M small molecule compound

2-(8,8-dimethyl-2,4,6-trioxo-1,2,3,4,5,6,7,8,9,10-decahydropyrimido[4,5-b]quinolin-5-yl)benzoic acid

Catalog ID
STK335925
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1C(=O)O)c1c(N2)[nH]c(=O)[nH]c1=O

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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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-20(2)7-11-14(12(24)8-20)13(9-5-3-4-6-10(9)18(26)27)15-16(21-11)22-19(28)23-17(15)25/h3-6,13H,7-8H2,1-2H3,(H,26,27)(H3,21,22,23,25,28)
InChIKey
FJERGOJSNYPBNS-UHFFFAOYSA-N
Synonyms

2(88dimethyl246trioxo12345678910decahydropyrimido(45b)quinolin5yl)benzoicacid
2(88dimethyl246trioxo57910tetrahydro1Hpyrimido(45b)quinolin5yl)benzoicacid
CC1(CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC=CC=C4C(=O)O)C(=O)C1)C
InChI=1SC20H19N3O5c120(2)71114(12(24)820)13(9534610(9)18(26)27)1516(2111)2219(28)2317(15)25h3613H78H212H3(H2627)(H32122232528)
MFCD09964353
O=C1CC(C)(C)CC2=C1C(c1ccccc1C(=O)O)c1c(N2)(nH)c(=O)(nH)c1=O
ZINC000018200400
ZINC000018200402

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Available files

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