Vitas-M small molecule compound

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

Catalog ID
STL166037
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cccc1OCC)C(=O)Nc1ccc(cc1)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 C25H31N3O5S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5S/c1-5-32-19-9-6-8-18-21-20(23(29)26-16-10-12-17(31-4)13-11-16)25(2,33-22(18)19)28(24(34)27-21)14-7-15-30-3/h6,8-13,20-21H,5,7,14-15H2,1-4H3,(H,26,29)(H,27,34)
InChIKey
GZXCMDQXGNOSIB-UHFFFAOYSA-N
Synonyms

10ethoxyN(4methoxyphenyl)3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3CCCOC)C(=O)NC4=CC=C(C=C4)OC)C
InChI=1SC25H31N3O5Sc153219968182120(23(29)2616101217(314)131116)25(23322(18)19)28(24(34)2721)14715303h68132021H571415H214H3(H2629)(H2734)
MFCD15085993
ZINC000245245359
ZINC000245245360

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Available files

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