Vitas-M small molecule compound
1-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea
Catalog ID
STK732081
SMILES O=C(Nc1ccc2c(c1)OCCOCCOCCOCCO2)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2
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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 C31H44N2O12 MW 636.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44N2O12/c34-31(33-26-2-4-28-30(24-26)45-22-18-41-14-10-37-8-12-39-16-20-43-28)32-25-1-3-27-29(23-25)44-21-17-40-13-9-36-6-5-35-7-11-38-15-19-42-27/h1-4,23-24H,5-22H2,(H2,32,33,34)InChIKey
IYXYXGWYBYAWCM-UHFFFAOYSA-NSynonyms
1(23568911121415decahydro147101316benzohexaoxacyclooctadecin18yl)3(2356891112octahydro1471013benzopentaoxacyclopentadecin15yl)urea
1(23568911121415decahydrobenzo(b)(147101316)hexaoxacyclooctadecin18yl)3(2356891112octahydrobenzo(b)(1471013)pentaoxacyclopentadecin15yl)urea
1(258111417hexaoxabicyclo(1640)docosa1(18)1921trien20yl)3(2581114pentaoxabicyclo(1340)nonadeca1(15)1618trien17yl)urea
C1COCCOCCOC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCCOCCOCCOCCO4)OCCOCCO1
InChI=1SC31H44N2O12c3431(3326242830(2426)452218411410378123916204328)3225132729(2325)442117401393665357113815194227h142324H522H2(H2323334)
MFCD00302553
ZINC000097994911
ZINC97994911
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