Vitas-M small molecule compound

2-[(11aS)-5-(3-methylphenyl)-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
STL458036
SMILES Cc1cccc(c1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)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 C27H21N3O4 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4/c1-15-7-6-8-16(13-15)24-23-19(17-9-2-4-11-20(17)28-23)14-22-25(31)30(27(34)29(22)24)21-12-5-3-10-18(21)26(32)33/h2-13,22,24,28H,14H2,1H3,(H,32,33)/t22-,24?/m0/s1
InChIKey
ICEJIDFPILKNOG-OWJIYDKWSA-N
Synonyms
956709-56-1
2((11aS)13dioxo5(mtolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoicacid
2((11aS)5(3methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoicacid
2((3aS)13diketo10(mtolyl)3a4910tetrahydroimidazo(15b)$bcarbolin2yl)benzoicacid
956709561
CC1=CC=CC(=C1)C2C3=C(CC4N2C(=O)N(C4=O)C5=CC=CC=C5C(=O)O)C6=CC=CC=C6N3
Cc1cccc(c1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)O
InChI=1SC27H21N3O4c11576816(1315)242319(179241120(17)2823)142225(31)30(27(34)29(22)24)2112531018(21)26(32)33h213222428H14H21H3(H3233)t2224?m0s1
MFCD05673306
ZINC000002114650
ZINC000002114652

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Available files

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