Vitas-M small molecule compound
(1R,5S)-9-nitro-3-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL549904
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
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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 C29H29N3O7 MW 531.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O7/c1-14-17(4)38-26-16(3)27-22(10-21(14)26)15(2)20(29(35)39-27)5-8-25(33)30-11-18-9-19(13-30)23-6-7-24(32(36)37)28(34)31(23)12-18/h6-7,10,18-19H,5,8-9,11-13H2,1-4H3/t18-,19+/m0/s1InChIKey
JHAAQYFQQIAMHE-RBUKOAKNSA-NSynonyms
(1~(R)9~(S))5nitro11(3(2359tetramethyl7oxofuro(32g)chromen6yl)propanoyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)9nitro3(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)9nitro3(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
126417531
InChI=1SC29H29N3O7c11417(4)382616(3)2722(1021(14)26)15(2)20(29(35)3927)5825(33)301118919(1330)236724(32(36)37)28(34)31(23)1218h67101819H5891113H214H3t1819+m0s1
O=C(N1C(C@@H)2CC(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
ZINC000409413293
ZINC409413293
Check stock
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Check stock on Vitas-MAvailable files
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