Vitas-M small molecule compound

9-(4-nitrophenyl)-3,4-dihydro-2H,8H-[1,4]dioxepino[2,3-h]chromen-8-one

Catalog ID
STL322762
SMILES O=c1c(coc2c1ccc1c2OCCCO1)c1ccc(cc1)[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 C18H13NO6 MW 339.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO6/c20-16-13-6-7-15-18(24-9-1-8-23-15)17(13)25-10-14(16)11-2-4-12(5-3-11)19(21)22/h2-7,10H,1,8-9H2
InChIKey
OMPIUPAMDIXVMI-UHFFFAOYSA-N
Synonyms
368839-77-4
368839774
9(4nitrophenyl)34dihydro(14)dioxepino(23h)chromen8(2H)one
9(4nitrophenyl)34dihydro2H8H(14)dioxepino(23h)chromen8one
9(4NITROPHENYL)34DIHYDRO2HPYRANO(32I)(15)BENZODIOXEPIN8ONE
C1COC2=C(C3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)(N+)(=O)(O))OC1
InChI=1SC18H13NO6c201613671518(249182315)17(13)251014(16)112412(5311)19(21)22h2710H189H2
MFCD01554892
O=c1c(coc2c1ccc1c2OCCCO1)c1ccc(cc1)(N+)(=O)(O)
ZINC000000494858
ZINC00494858
ZINC494858

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Available files

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