Vitas-M small molecule compound
6-hexyl-10-nitro-13,13-diphenyl-11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine
Catalog ID
STK764635
SMILES CCCCCCC1Oc2ccc(cc2C2N1c1ccccc1C(O2)(c1ccccc1)c1ccccc1)[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 C33H32N2O4 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O4/c1-2-3-4-11-20-31-34-29-19-13-12-18-28(29)33(24-14-7-5-8-15-24,25-16-9-6-10-17-25)39-32(34)27-23-26(35(36)37)21-22-30(27)38-31/h5-10,12-19,21-23,31-32H,2-4,11,20H2,1H3InChIKey
JUEZFFDZINZSQV-UHFFFAOYSA-NSynonyms
6hexyl10nitro1313diphenyl11bH13H(13)benzoxazino(34a)(31)benzoxazine
6hexyl10nitro1313diphenyl611bdihydro(13)benzoxazino(34a)(31)benzoxazine
CCCCCCC1N2C(C3=C(O1)C=CC(=C3)(N+)(=O)(O))OC(C4=CC=CC=C42)(C5=CC=CC=C5)C6=CC=CC=C6
CCCCCCC1Oc2ccc(cc2C2N1c1ccccc1C(O2)(c1ccccc1)c1ccccc1)(N+)(=O)(O)
InChI=1SC33H32N2O4c123411203134291913121828(29)33(24147581524251696101725)3932(34)272326(35(36)37)212230(27)3831h510121921233132H241120H21H3
MFCD02933099
ZINC000008854851
ZINC000015239978
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