Vitas-M small molecule compound

[10-methoxy-2-methyl-3-(4-methylphenyl)-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](4-methoxyphenyl)methanone

Catalog ID
STL094486
SMILES COc1ccc(cc1)C(=O)N1C2CC(N(C1=S)c1ccc(cc1)C)(C)Oc1c2cccc1OC

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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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-17-8-12-19(13-9-17)29-26(34)28(25(30)18-10-14-20(31-3)15-11-18)22-16-27(29,2)33-24-21(22)6-5-7-23(24)32-4/h5-15,22H,16H2,1-4H3
InChIKey
AFMLAGZEVJEBAR-UHFFFAOYSA-N
Synonyms

(10methoxy2methyl3(4methylphenyl)4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(4methoxyphenyl)methanone
CC1=CC=C(C=C1)N2C(=S)N(C3CC2(OC4=C3C=CC=C4OC)C)C(=O)C5=CC=C(C=C5)OC
InChI=1SC27H26N2O4Sc11781219(13917)2926(34)28(25(30)18101420(313)151118)221627(292)332421(22)65723(24)324h51522H16H214H3
MFCD14741455
ZINC000101354404

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Available files

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