Vitas-M small molecule compound
(3R,11E)-16-hydroxy-3-methyl-14-[(4-nitrobenzyl)oxy]-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL528624
SMILES O=C1CCC/C=C/c2cc(OCc3ccc(cc3)[N+](=O)[O-])cc(c2C(=O)O[C@@H](CCC1)C)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 C25H27NO7 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO7/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)33-17)32-16-18-10-12-20(13-11-18)26(30)31/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m1/s1InChIKey
BYUIOHLYMPLHMO-OPQSBORISA-NSynonyms
(3R11E)16hydroxy3methyl14((4nitrobenzyl)oxy)3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(R)12~(E))18hydroxy4methyl16((4nitrophenyl)methoxy)3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)16hydroxy3methyl14((4nitrobenzyl)oxy)3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
41034343
InChI=1SC25H27NO7c11765921(27)84237191422(1523(28)24(19)25(29)3317)321618101220(131118)26(30)31h3710151728H2468916H21H3b73+t17m1s1
MFCD05673168
O=C1CCCC=Cc2cc(OCc3ccc(cc3)(N+)(=O)(O))cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000254379994
ZINC9359555
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