Vitas-M small molecule compound

4-[(11aS)-5-(3-methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(2-methylpropyl)benzamide

Catalog ID
STL533107
SMILES COc1cccc(c1)C1N2C(=O)N(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)c1ccc(cc1)C(=O)NCC(C)C

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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 C31H30N4O4 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O4/c1-18(2)17-32-29(36)19-11-13-21(14-12-19)34-30(37)26-16-24-23-9-4-5-10-25(23)33-27(24)28(35(26)31(34)38)20-7-6-8-22(15-20)39-3/h4-15,18,26,28,33H,16-17H2,1-3H3,(H,32,36)/t26-,28?/m0/s1
InChIKey
LFQNJMFECAVGEY-QODXOHEASA-N
Synonyms
956999-07-8
16403880
4((11aS)5(3methoxyphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(2methylpropyl)benzamide
4((15~(S))10(3methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(2methylpropyl)benzamide
956999078
COc1cccc(c1)C1N2C(=O)N(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)c1ccc(cc1)C(=O)NCC(C)C
InChI=1SC31H30N4O4c118(2)173229(36)19111321(141219)3430(37)261624239451025(23)3327(24)28(35(26)31(34)38)2076822(1520)393h41518262833H1617H213H3(H3236)t2628?m0s1
MFCD06765506
Nisobutyl4((11aS)5(3methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamide
ZINC000008790164
ZINC000012881965

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.