Vitas-M small molecule compound
methyl 2-[(11aS)-5-(3-methylphenyl)-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
STL537693
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1cccc(c1)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 C28H23N3O4 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4/c1-16-8-7-9-17(14-16)25-24-20(18-10-3-5-12-21(18)29-24)15-23-26(32)31(28(34)30(23)25)22-13-6-4-11-19(22)27(33)35-2/h3-14,23,25,29H,15H2,1-2H3/t23-,25?/m0/s1InChIKey
KDQBECTZSHVIBI-LFQPHHBNSA-NSynonyms
956926-20-816399271
956926208
COC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1cccc(c1)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC28H23N3O4c11687917(1416)252420(1810351221(18)2924)152326(32)31(28(34)30(23)25)2213641119(22)27(33)352h314232529H15H212H3t2325?m0s1
methyl2((11aS)13dioxo5(mtolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzoate
methyl2((11aS)5(3methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzoate
methyl2((15~(S))10(3methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoate
MFCD04142678
ZINC000002153365
ZINC000002153368
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