Vitas-M small molecule compound
ethyl 4-{[(13bS)-14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl]acetyl}piperazine-1-carboxylate
Catalog ID
STL548259
SMILES CCOC(=O)N1CCN(CC1)C(=O)Cn1c2ccccc2c2c1[C@@H]1N(CC2)C(=O)c2c(N1C)cccc2
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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 C28H31N5O4 MW 501.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O4/c1-3-37-28(36)31-16-14-30(15-17-31)24(34)18-33-23-11-7-4-8-19(23)20-12-13-32-26(25(20)33)29(2)22-10-6-5-9-21(22)27(32)35/h4-11,26H,3,12-18H2,1-2H3/t26-/m0/s1InChIKey
RKKABZNFSMITKW-SANMLTNESA-NSynonyms
(S)ethyl4(2(14methyl5oxo7813b14tetrahydroindolo(2334)pyrido(21b)quinazolin13(5H)yl)acetyl)piperazine1carboxylate
110207156
CCOC(=O)N1CCN(CC1)C(=O)Cn1c2ccccc2c2c1(C@@H)1N(CC2)C(=O)c2c(N1C)cccc2
ethyl4(((13bS)14methyl5oxo7813b14tetrahydroindolo(2334)pyrido(21b)quinazolin13(5H)yl)acetyl)piperazine1carboxylate
ethyl4(2((1~(S))21methyl14oxo31321triazapentacyclo(11800^(210)0^(49)0^(1520))henicosa2(10)468151719heptaen3yl)acetyl)piperazine1carboxylate
InChI=1SC28H31N5O4c133728(36)31161430(151731)24(34)1833231174819(23)2012133226(25(20)33)29(2)221065921(22)27(32)35h41126H31218H212H3t26m0s1
ZINC000253412572
ZINC253412572
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