Vitas-M small molecule compound

1-{4-[(7-chloro-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)propan-1-one

Catalog ID
STK635453
SMILES COc1cc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(c3c2non3)Cl)ccc1OC

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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 C21H23ClN4O6S MW 494.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O6S/c1-30-16-6-3-14(13-17(16)31-2)4-8-19(27)25-9-11-26(12-10-25)33(28,29)18-7-5-15(22)20-21(18)24-32-23-20/h3,5-7,13H,4,8-12H2,1-2H3
InChIKey
KBYCKUNFMNCFNO-UHFFFAOYSA-N
Synonyms
1010888-58-0
1(4((4chloro213benzoxadiazol7yl)sulfonyl)piperazin1yl)3(34dimethoxyphenyl)propan1one
1(4((7chloro213benzoxadiazol4yl)sulfonyl)piperazin1yl)3(34dimethoxyphenyl)propan1one
1(4((7chlorobenzo(c)(125)oxadiazol4yl)sulfonyl)piperazin1yl)3(34dimethoxyphenyl)propan1one
1010888580
COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C4=NON=C34)Cl)OC
InChI=1SC21H23ClN4O6Sc130166314(1317(16)312)4819(27)2591126(121025)33(2829)187515(22)2021(18)24322320h35713H4812H212H3
MFCD12204976
ZINC000012409747
ZINC12409747

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Available files

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