Vitas-M small molecule compound

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

Catalog ID
STL141953
SMILES COc1ccc(cc1)NC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1ccc(cc1)F

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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 C26H24FN3O4S MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4S/c1-26-21(24(31)28-16-9-13-18(32-2)14-10-16)22(19-5-4-6-20(33-3)23(19)34-26)29-25(35)30(26)17-11-7-15(27)8-12-17/h4-14,21-22H,1-3H3,(H,28,31)(H,29,35)
InChIKey
GTJFRNKYSVVUAQ-UHFFFAOYSA-N
Synonyms
1022110-41-3
1022110413
3(4fluorophenyl)10methoxyN(4methoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC=C(C=C4)F)C(=O)NC5=CC=C(C=C5)OC
InChI=1SC26H24FN3O4Sc12621(24(31)281691318(322)141016)22(1954620(333)23(19)3426)2925(35)30(26)1711715(27)81217h4142122H13H3(H2831)(H2935)
MFCD15085982
ZINC000104785804
ZINC000104785808

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Available files

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