Vitas-M small molecule compound

2-[(11aS)-5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid

Catalog ID
STL458069
SMILES OC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1

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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 C22H19N3O4 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4/c1-22(2)18-14(12-7-3-5-9-15(12)23-18)11-17-19(26)24(21(29)25(17)22)16-10-6-4-8-13(16)20(27)28/h3-10,17,23H,11H2,1-2H3,(H,27,28)/t17-/m0/s1
InChIKey
GYQLQGLHLHUNQD-KRWDZBQOSA-N
Synonyms
956439-74-0
(S)2(55dimethyl13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoicacid
2((11aS)55dimethyl13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoicacid
2((3aS)13diketo1010dimethyl49dihydro3aHimidazo(15b)$bcarbolin2yl)benzoicacid
956439740
CC1(C2=C(CC3N1C(=O)N(C3=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5N2)C
InChI=1SC22H19N3O4c122(2)1814(12735915(12)2318)111719(26)24(21(29)25(17)22)161064813(16)20(27)28h3101723H11H212H3(H2728)t17m0s1
MFCD06765604
OC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(C)(C)c1c(C2)c2ccccc2(nH)1
ZINC000003882127
ZINC3882127

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Available files

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