Vitas-M small molecule compound

3-(4-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)carbonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one

Catalog ID
STL094492
SMILES Fc1ccc(cc1)N1C(=O)N(C2CC1(C)Oc1c2cccc1)C(=O)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 C24H18FN3O5 MW 447.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O5/c1-24-14-20(19-4-2-3-5-21(19)33-24)26(22(29)15-6-10-18(11-7-15)28(31)32)23(30)27(24)17-12-8-16(25)9-13-17/h2-13,20H,14H2,1H3
InChIKey
DFEXIDOBIAQWEN-UHFFFAOYSA-N
Synonyms

3(4fluorophenyl)2methyl5((4nitrophenyl)carbonyl)2356tetrahydro4H26methano135benzoxadiazocin4one
CC12CC(C3=CC=CC=C3O1)N(C(=O)N2C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)(N+)(=O)(O)
Fc1ccc(cc1)N1C(=O)N(C2CC1(C)Oc1c2cccc1)C(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H18FN3O5c1241420(19423521(19)3324)26(22(29)1561018(11715)28(31)32)23(30)27(24)1712816(25)91317h21320H14H21H3
MFCD14741479
ZINC000020156290

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Available files

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