Vitas-M small molecule compound
[3-(4-fluorophenyl)-10-methoxy-2-methyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3-nitrophenyl)methanone
Catalog ID
STL141957
SMILES COc1cccc2c1OC1(C)CC2N(C(=S)N1c1ccc(cc1)F)C(=O)c1cccc(c1)[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 C25H20FN3O5S MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O5S/c1-25-14-20(19-7-4-8-21(33-2)22(19)34-25)27(23(30)15-5-3-6-18(13-15)29(31)32)24(35)28(25)17-11-9-16(26)10-12-17/h3-13,20H,14H2,1-2H3InChIKey
MGUQKXVPVKRBEM-UHFFFAOYSA-NSynonyms
(3(4fluorophenyl)10methoxy2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(3nitrophenyl)methanone
CC12CC(C3=C(O1)C(=CC=C3)OC)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
COc1cccc2c1OC1(C)CC2N(C(=S)N1c1ccc(cc1)F)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H20FN3O5Sc1251420(1974821(332)22(19)3425)27(23(30)1553618(1315)29(31)32)24(35)28(25)1711916(26)101217h31320H14H212H3
MFCD14741444
ZINC000100034317
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