Vitas-M small molecule compound

2-[(11aS)-5-methyl-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
STL458098
SMILES OC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)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 C21H17N3O4 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-11-18-14(12-6-2-4-8-15(12)22-18)10-17-19(25)24(21(28)23(11)17)16-9-5-3-7-13(16)20(26)27/h2-9,11,17,22H,10H2,1H3,(H,26,27)/t11?,17-/m0/s1
InChIKey
AJQRWQROQKHODQ-KLLZUTDZSA-N
Synonyms
956975-14-7
2((11aS)5methyl13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoicacid
2((11aS)5methyl13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoicacid
2((3aS)13diketo10methyl3a4910tetrahydroimidazo(15b)$bcarbolin2yl)benzoicacid
956975147
CC1C2=C(CC3N1C(=O)N(C3=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5N2
InChI=1SC21H17N3O4c1111814(12624815(12)2218)101719(25)24(21(28)23(11)17)16953713(16)20(26)27h29111722H10H21H3(H2627)t11?17m0s1
MFCD06765881
OC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(C)c1c(C2)c2ccccc2(nH)1
ZINC000004084743
ZINC000004084744

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Available files

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