Vitas-M small molecule compound

2-[3-({5-[3-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK808191
SMILES O=c1c2cccc3c2c(c(=O)n1CCCSc1nnc(o1)c1cccc(c1)S(=O)(=O)N1CCCCCC1)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 C29H28N4O5S2 MW 576.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O5S2/c34-27-23-13-6-9-20-10-7-14-24(25(20)23)28(35)33(27)17-8-18-39-29-31-30-26(38-29)21-11-5-12-22(19-21)40(36,37)32-15-3-1-2-4-16-32/h5-7,9-14,19H,1-4,8,15-18H2
InChIKey
JTVKWJHJTWJKPB-UHFFFAOYSA-N
Synonyms
912906-57-1
2(3((5(3(azepan1ylsulfonyl)phenyl)134oxadiazol2yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((5(3(azepan1ylsulfonyl)phenyl)134oxadiazol2yl)sulfanyl)propyl)benzo(de)isoquinoline13dione
2(3((5(3(AZEPAN1YLSULFONYL)PHENYL)134OXADIAZOL2YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
912906571
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC29H28N4O5S2c3427231369201071424(25(20)23)28(35)33(27)178183929313026(3829)211151222(1921)40(3637)321531241632h5791419H1481518H2
MFCD09250118
ZINC000098048363
ZINC98048363

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Available files

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