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](3,4,5-trimethoxyphenyl)methanone

Catalog ID
STL192576
SMILES COc1cccc2c1OC1(C)CC2N(C(=S)N1c1ccc(cc1)F)C(=O)c1cc(OC)c(c(c1)OC)OC

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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 C28H27FN2O6S MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN2O6S/c1-28-15-20(19-7-6-8-21(33-2)24(19)37-28)30(27(38)31(28)18-11-9-17(29)10-12-18)26(32)16-13-22(34-3)25(36-5)23(14-16)35-4/h6-14,20H,15H2,1-5H3
InChIKey
MSQOUIXJAFHEQE-UHFFFAOYSA-N
Synonyms

(3(4fluorophenyl)10methoxy2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(345trimethoxyphenyl)methanone
CC12CC(C3=C(O1)C(=CC=C3)OC)N(C(=S)N2C4=CC=C(C=C4)F)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC28H27FN2O6Sc1281520(1976821(332)24(19)3728)30(27(38)31(28)1811917(29)101218)26(32)161322(343)25(365)23(1416)354h61420H15H215H3
MFCD14741422
ZINC000100033706

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Available files

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