Vitas-M small molecule compound

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

Catalog ID
STL529650
SMILES CCc1ccc(cc1)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccccc1)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 C34H28N4O3 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N4O3/c1-2-21-16-18-23(19-17-21)35-32(39)25-13-7-9-15-28(25)38-33(40)29-20-26-24-12-6-8-14-27(24)36-30(26)31(37(29)34(38)41)22-10-4-3-5-11-22/h3-19,29,31,36H,2,20H2,1H3,(H,35,39)/t29-,31?/m0/s1
InChIKey
VHCDGIPELYULCQ-QHSFNAQHSA-N
Synonyms
956965-34-7
16405895
2((11aS)13dioxo5phenyl1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(4ethylphenyl)benzamide
2((11aS)13dioxo5phenyl561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(4ethylphenyl)benzamide
2((15~(S))1214dioxo10phenyl81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(4ethylphenyl)benzamide
956965347
CCc1ccc(cc1)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccccc1)c1c(C2)c2ccccc2(nH)1
InChI=1SC34H28N4O3c1221161823(191721)3532(39)2513791528(25)3833(40)2920262412681427(24)3630(26)31(37(29)34(38)41)22104351122h319293136H220H21H3(H3539)t2931?m0s1
MFCD08002449
ZINC000070706188
ZINC000070706191

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Available files

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