Vitas-M small molecule compound

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

Catalog ID
STL530791
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)F)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 C27H20FN3O4 MW 469.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O4/c1-35-26(33)18-7-3-5-9-21(18)31-25(32)22-14-19-17-6-2-4-8-20(17)29-23(19)24(30(22)27(31)34)15-10-12-16(28)13-11-15/h2-13,22,24,29H,14H2,1H3/t22-,24?/m0/s1
InChIKey
TVKKCJXILDGEHK-OWJIYDKWSA-N
Synonyms
956827-25-1
16404969
956827251
COC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)F)c1c(C2)c2ccccc2(nH)1
InChI=1SC27H20FN3O4c13526(33)18735921(18)3125(32)22141917624820(17)2923(19)24(30(22)27(31)34)15101216(28)131115h213222429H14H21H3t2224?m0s1
methyl2((11aS)5(4fluorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoate
methyl2((11aS)5(4fluorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoate
methyl2((15~(S))10(4fluorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoate
MFCD06768575
ZINC000012885723
ZINC000012885730

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Available files

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