Vitas-M small molecule compound
10-butyl-3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Catalog ID
STK768726
SMILES CCCCN1C(=O)c2c(Oc3ccc(cc3)CCC(=O)C)cc(cc2Oc2c1cccc2)[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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-3-4-15-28-22-7-5-6-8-23(22)35-25-17-20(29(32)33)16-24(26(25)27(28)31)34-21-13-11-19(12-14-21)10-9-18(2)30/h5-8,11-14,16-17H,3-4,9-10,15H2,1-2H3InChIKey
MDIYGYHOZSCAAW-UHFFFAOYSA-NSynonyms
10butyl3nitro1(4(3oxobutyl)phenoxy)dibenzo(bf)(14)oxazepin11(10H)one
10BUTYL3NITRO1(4(3OXOBUTYL)PHENOXY)DIBENZO(BF)14OXAZAPERHYDROEPIN11ONE
5BUTYL9NITRO7(4(3OXOBUTYL)PHENOXY)BENZO(B)(14)BENZOXAZEPIN6ONE
CCCCN1C(=O)c2c(Oc3ccc(cc3)CCC(=O)C)cc(cc2Oc2c1cccc2)(N+)(=O)(O)
CCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)(N+)(=O)(O))OC4=CC=C(C=C4)CCC(=O)C
InChI=1SC27H26N2O6c134152822756823(22)35251720(29(32)33)1624(26(25)27(28)31)3421131119(121421)10918(2)30h5811141617H3491015H212H3
MFCD03308502
ZINC000003619643
ZINC03619643
ZINC3619643
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