Vitas-M small molecule compound
methyl 2-[(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
STL537647
SMILES COC(=O)c1ccccc1N1C(=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 C30H27N3O4 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O4/c1-17(2)18-12-14-19(15-13-18)27-26-22(20-8-4-6-10-23(20)31-26)16-25-28(34)33(30(36)32(25)27)24-11-7-5-9-21(24)29(35)37-3/h4-15,17,25,27,31H,16H2,1-3H3/t25-,27?/m0/s1InChIKey
BQAYHSCPQPCYDP-PVCWFJFTSA-NSynonyms
956709-80-116399943
956709801
COC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC30H27N3O4c117(2)18121419(151318)272622(208461023(20)3126)162528(34)33(30(36)32(25)27)241175921(24)29(35)373h41517252731H16H213H3t2527?m0s1
methyl2((11aS)13dioxo5(4(propan2yl)phenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoate
methyl2((11aS)5(4isopropylphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoate
methyl2((15~(S))1214dioxo10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoate
MFCD04146599
ZINC000002107284
ZINC000002107286
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