Vitas-M small molecule compound
methyl 4-[(11aR)-2-(2,4-dimethoxyphenyl)-1,3-dioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-5-yl]benzoate
Catalog ID
STL527877
SMILES COc1ccc(c(c1)OC)N1C(=O)[C@@H]2N(C1=O)C(c1ccc(cc1)C(=O)OC)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 C29H25N3O6 MW 511.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O6/c1-36-18-12-13-22(24(14-18)37-2)32-27(33)23-15-20-19-6-4-5-7-21(19)30-25(20)26(31(23)29(32)35)16-8-10-17(11-9-16)28(34)38-3/h4-14,23,26,30H,15H2,1-3H3/t23-,26?/m1/s1InChIKey
LQBUSAPQVJLWCH-GEPVFLLWSA-NSynonyms
135639328
COc1ccc(c(c1)OC)N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C(=O)OC)c1c(C2)c2ccccc2(nH)1
InChI=1SC29H25N3O6c13618121322(24(1418)372)3227(33)23152019645721(19)3025(20)26(31(23)29(32)35)1681017(11916)28(34)383h414232630H15H213H3t2326?m1s1
methyl4((11aR)2(24dimethoxyphenyl)13dioxo23561111ahexahydro1Himidazo(1516)pyrido(34b)indol5yl)benzoate
methyl4((11aS)2(24dimethoxyphenyl)13dioxo23561111ahexahydro1Himidazo(1516)pyrido(34b)indol5yl)benzoate
methyl4((15~(R))13(24dimethoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen10yl)benzoate
MFCD03662117
ZINC000002147562
ZINC000002147567
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