Vitas-M small molecule compound
3-{[(4-butyl-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL511704
SMILES CCCCc1cc(=O)oc2c1c(OCC(=O)N1CC3CC(C1)c1n(C3)c(=O)c(cc1)[N+](=O)[O-])cc1c2CCC(O1)(C)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 C31H35N3O8 MW 577.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O8/c1-4-5-6-19-12-27(36)41-29-21-9-10-31(2,3)42-24(21)13-25(28(19)29)40-17-26(35)32-14-18-11-20(16-32)22-7-8-23(34(38)39)30(37)33(22)15-18/h7-8,12-13,18,20H,4-6,9-11,14-17H2,1-3H3InChIKey
JYVSTBJECRWNBJ-UHFFFAOYSA-NSynonyms
(1R5S)3(2((4butyl88dimethyl2oxo28910tetrahydropyrano(23f)chromen5yl)oxy)acetyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(2((4butyl88dimethyl2oxo910dihydropyrano(23h)chromen5yl)oxy)acetyl)5nitro711diazatricyclo(7310^(27))trideca24dien6one
135638048
3(((4butyl88dimethyl2oxo910dihydro2H8Hpyrano(23f)chromen5yl)oxy)acetyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCCCc1cc(=O)oc2c1c(OCC(=O)N1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)c(cc1)(N+)(=O)(O))cc1c2CCC(O1)(C)C
InChI=1SC31H35N3O8c1456191227(36)41292191031(23)4224(21)1325(28(19)29)401726(35)3214181120(1632)227823(34(38)39)30(37)33(22)1518h7812131820H469111417H213H3
MFCD31751781
ZINC000604404947
Check stock
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Check stock on Vitas-MAvailable files
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