Vitas-M small molecule compound
(1S,5S)-3-({3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-1-yl}methyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL535216
SMILES CN1CCN(CC1)C(=O)Cc1cn(c2c1cccc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C27H33N5O2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O2/c1-28-9-11-30(12-10-28)27(34)14-21-18-31(25-6-3-2-5-23(21)25)19-29-15-20-13-22(17-29)24-7-4-8-26(33)32(24)16-20/h2-8,18,20,22H,9-17,19H2,1H3/t20-,22+/m0/s1InChIKey
QCJOBTAFYRUYSY-RBBKRZOGSA-NSynonyms
(1R5S)3((3(2(4methylpiperazin1yl)2oxoethyl)1Hindol1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3((3(2(4methylpiperazin1yl)2oxoethyl)1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CN1CCN(CC1)C(=O)Cc1cn(c2c1cccc2)CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC27H33N5O2c12891130(121028)27(34)14211831(25632523(21)25)192915201322(1729)2474826(33)32(24)1620h28182022H91719H21H3t2022+m0s1
MFCD09795217
ZINC000100788799
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