Vitas-M small molecule compound

1,1'-[8-(4-methoxyphenyl)-9-methyl-1-(3-methylphenyl)-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-diene-3,6-diyl]diethanone

Catalog ID
STK771139
SMILES COc1ccc(cc1)C1=NN(C2(N1C)SC(=NN2c1cccc(c1)C)C(=O)C)C(=O)C

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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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-14-7-6-8-18(13-14)27-22(31-21(24-27)15(2)28)25(4)20(23-26(22)16(3)29)17-9-11-19(30-5)12-10-17/h6-13H,1-5H3
InChIKey
ZNWUBVYDOGCDPD-UHFFFAOYSA-N
Synonyms
1(6acetyl8(4methoxyphenyl)9methyl4(3methylphenyl)1thia34679pentazaspiro(44)nona27dien2yl)ethanone
11(8(4methoxyphenyl)9methyl1(3methylphenyl)4thia12679pentaazaspiro(44)nona27diene36diyl)diethanone
CC1=CC(=CC=C1)N2C3(N(C(=NN3C(=O)C)C4=CC=C(C=C4)OC)C)SC(=N2)C(=O)C
Registry IDs
MFCD03767068
ZINC000008869120
ZINC000008869121

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.