Vitas-M small molecule compound

2-(2-{4-[(2,4,6-trimethylphenyl)sulfonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK806690
SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-18-16-19(2)25(20(3)17-18)35(33,34)29-13-10-28(11-14-29)12-15-30-26(31)22-8-4-6-21-7-5-9-23(24(21)22)27(30)32/h4-9,16-17H,10-15H2,1-3H3
InChIKey
OULBQIZFVWBUOQ-UHFFFAOYSA-N
Synonyms
324774-77-8
2(2(4((246trimethylphenyl)sulfonyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4(246TRIMETHYLPHENYL)SULFONYLPIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2(4(MESITYLSULFONYL)PIPERAZIN1YL)ETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
324774778
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C
InChI=1SC27H29N3O4Sc1181619(2)25(20(3)1718)35(3334)29131028(111429)12153026(31)228462175923(24(21)22)27(30)32h491617H1015H213H3
MFCD01795322
ZINC000019772682
ZINC19772682

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Available files

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