Vitas-M small molecule compound
(1R,5S)-3-{[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL551550
SMILES COc1cccc2c1oc(=O)c(c2)c1ccc(cc1)OCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]
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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 C29H25N3O8 MW 543.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O8/c1-38-25-4-2-3-19-12-22(29(35)40-27(19)25)18-5-7-21(8-6-18)39-16-26(33)30-13-17-11-20(15-30)23-9-10-24(32(36)37)28(34)31(23)14-17/h2-10,12,17,20H,11,13-16H2,1H3/t17-,20+/m0/s1InChIKey
UPRMMGKQAARZSH-FXAWDEMLSA-NSynonyms
(1~(R)9~(S))11(2(4(8methoxy2oxochromen3yl)phenoxy)acetyl)5nitro711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3((4(8methoxy2oxo2Hchromen3yl)phenoxy)acetyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(2(4(8methoxy2oxo2Hchromen3yl)phenoxy)acetyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
125428068
COc1cccc2c1oc(=O)c(c2)c1ccc(cc1)OCC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O)
InChI=1SC29H25N3O8c13825423191222(29(35)4027(19)25)185721(8618)391626(33)3013171120(1530)2391024(32(36)37)28(34)31(23)1417h210121720H111316H21H3t1720+m0s1
ZINC000524729456
ZINC524729456
Check stock
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Check stock on Vitas-MAvailable files
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