Vitas-M small molecule compound
4-oxo-4-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-N-(3,4,5-trimethoxybenzyl)butanamide
Catalog ID
STL524950
SMILES COc1c(OC)cc(cc1OC)CNC(=O)CCC(=O)N1C[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 C25H31N3O6 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6/c1-32-20-10-16(11-21(33-2)25(20)34-3)12-26-22(29)7-8-23(30)27-13-17-9-18(15-27)19-5-4-6-24(31)28(19)14-17/h4-6,10-11,17-18H,7-9,12-15H2,1-3H3,(H,26,29)/t17-,18+/m0/s1InChIKey
YHRKPNJHVKKMIB-ZWKOTPCHSA-NSynonyms
4oxo4((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)N(345trimethoxybenzyl)butanamide
4oxo4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)N(345trimethoxybenzyl)butanamide
COc1c(OC)cc(cc1OC)CNC(=O)CCC(=O)N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H31N3O6c132201016(1121(332)25(20)343)122622(29)7823(30)271317918(1527)1954624(31)28(19)1417h4610111718H791215H213H3(H2629)t1718+m0s1
MFCD01546604
ZINC000002124004
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