Vitas-M small molecule compound

2-[(1-{[4-(azepan-1-ylsulfonyl)phenyl]carbonyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK538795
SMILES O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)N1CCC(CC1)Cn1c(=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 C31H33N3O5S MW 559.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O5S/c35-29(24-11-13-25(14-12-24)40(38,39)33-17-3-1-2-4-18-33)32-19-15-22(16-20-32)21-34-30(36)26-9-5-7-23-8-6-10-27(28(23)26)31(34)37/h5-14,22H,1-4,15-21H2
InChIKey
KUWWYTYTAZODEZ-UHFFFAOYSA-N
Synonyms
326007-85-6
2((1((4(azepan1ylsulfonyl)phenyl)carbonyl)piperidin4yl)methyl)1Hbenzo(de)isoquinoline13(2H)dione
2((1(4(1AZEPANYLSULFONYL)BENZOYL)4PIPERIDINYL)METHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2((1(4(AZEPAN1YLSULFONYL)BENZOYL)PIPERIDIN4YL)METHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2((1(4(AZEPAN1YLSULFONYL)BENZOYL)PIPERIDIN4YL)METHYL)BENZO(DE)ISOQUINOLINE13DIONE
326007856
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC31H33N3O5Sc3529(24111325(141224)40(3839)331731241833)32191522(162032)213430(36)2695723861027(28(23)26)31(34)37h51422H141521H2
MFCD02252617
ZINC000008687391
ZINC8687391

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Available files

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