Vitas-M small molecule compound

ethyl 4-[(11aS)-1,3-dioxo-5-[4-(propan-2-yl)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoate

Catalog ID
STL533749
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)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 C31H29N3O4 MW 507.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O4/c1-4-38-30(36)21-13-15-22(16-14-21)33-29(35)26-17-24-23-7-5-6-8-25(23)32-27(24)28(34(26)31(33)37)20-11-9-19(10-12-20)18(2)3/h5-16,18,26,28,32H,4,17H2,1-3H3/t26-,28?/m0/s1
InChIKey
RPGDXHGXTGUETC-QODXOHEASA-N
Synonyms
956976-29-7
16403686
956976297
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2(nH)1
ethyl4((11aS)13dioxo5(4(propan2yl)phenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoate
ethyl4((11aS)5(4isopropylphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoate
ethyl4((15~(S))1214dioxo10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoate
InChI=1SC31H29N3O4c143830(36)21131522(161421)3329(35)26172423756825(23)3227(24)28(34(26)31(33)37)2011919(101220)18(2)3h51618262832H417H213H3t2628?m0s1
MFCD06764999
ZINC000008790001
ZINC000008790002

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Available files

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