Vitas-M small molecule compound

10-methoxy-N-(4-methoxyphenyl)-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide

Catalog ID
STL166042
SMILES COc1ccc(cc1)NC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1ccccc1

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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 C26H25N3O4S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S/c1-26-21(24(30)27-16-12-14-18(31-2)15-13-16)22(19-10-7-11-20(32-3)23(19)33-26)28-25(34)29(26)17-8-5-4-6-9-17/h4-15,21-22H,1-3H3,(H,27,30)(H,28,34)
InChIKey
DLAOOGCUWVANQI-UHFFFAOYSA-N
Synonyms
1005287-07-9
1005287079
10methoxyN(4methoxyphenyl)2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)OC
InChI=1SC26H25N3O4Sc12621(24(30)2716121418(312)151316)22(191071120(323)23(19)3326)2825(34)29(26)178546917h4152122H13H3(H2730)(H2834)
MFCD15085979
ZINC000104785780
ZINC000104785784

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Available files

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