Vitas-M small molecule compound

2-{2-[2-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK806900
SMILES COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCCCCC1

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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 C28H30N2O6S MW 522.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6S/c1-35-23-17-20(25(18-24(23)36-2)37(33,34)29-14-5-3-4-6-15-29)13-16-30-27(31)21-11-7-9-19-10-8-12-22(26(19)21)28(30)32/h7-12,17-18H,3-6,13-16H2,1-2H3
InChIKey
BNHSGPMNGFFGMG-UHFFFAOYSA-N
Synonyms
452089-54-2
2(2(2(azepan1ylsulfonyl)45dimethoxyphenyl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(2(AZEPAN1YLSULFONYL)45DIMETHOXYPHENYL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2(AZEPAN1YLSULFONYL)45DIMETHOXYPHENETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
452089542
COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCCC5)OC
InChI=1SC28H30N2O6Sc135231720(25(1824(23)362)37(3334)291453461529)13163027(31)211179191081222(26(19)21)28(30)32h7121718H361316H212H3
MFCD04423557
ZINC000008683950
ZINC08683950
ZINC8683950

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Available files

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