Vitas-M small molecule compound
(1R,5R)-3-({3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-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
STL562943
SMILES CN1CCN(CC1)C(=O)CCCc1cn(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 C29H37N5O2 MW 487.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N5O2/c1-30-12-14-32(15-13-30)28(35)10-4-6-23-20-33(27-8-3-2-7-25(23)27)21-31-17-22-16-24(19-31)26-9-5-11-29(36)34(26)18-22/h2-3,5,7-9,11,20,22,24H,4,6,10,12-19,21H2,1H3/t22-,24+/m0/s1InChIKey
MRTBIIFCQDOGCZ-LADGPHEKSA-NSynonyms
956196-68-2(1R5R)3((3(4(4methylpiperazin1yl)4oxobutyl)1Hindol1yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3((3(4(4methylpiperazin1yl)4oxobutyl)1Hindol1yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1R9S)11((3(4(4methylpiperazin1yl)4oxobutyl)indol1yl)methyl)711diazatricyclo(731027)trideca24dien6one
16409250
956196682
CN1CCN(CC1)C(=O)CCCc1cn(c2c1cccc2)CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC29H37N5O2c130121432(151330)28(35)1046232033(27832725(23)27)213117221624(1931)26951129(36)34(26)1822h2357911202224H4610121921H21H3t2224+m0s1
MFCD32651376
ZINC000020759976
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