Vitas-M small molecule compound
(2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-1-(3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}phenyl)ethanone
Catalog ID
STK590645
SMILES Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2
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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 C28H26FN3O5S MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FN3O5S/c29-21-4-6-22(7-5-21)31-10-12-32(13-11-31)38(34,35)23-3-1-2-20(14-23)26(33)17-25-24-16-28-27(36-18-37-28)15-19(24)8-9-30-25/h1-7,14-17,30H,8-13,18H2/b25-17-InChIKey
NYGVWTQGEQLFLZ-UQQQWYQISA-NSynonyms
883957-64-0(2Z)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)1(3((4(4fluorophenyl)piperazin1yl)sulfonyl)phenyl)ethanone
(2Z)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)1(3(4(4fluorophenyl)piperazin1yl)sulfonylphenyl)ethanone
(Z)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)1(3((4(4fluorophenyl)piperazin1yl)sulfonyl)phenyl)ethanone
883957640
C1CNC(=CC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC6=C(C=C51)OCO6
Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)C=C1NCCc2c1cc1OCOc1c2
InChI=1SC28H26FN3O5Sc29214622(7521)31101232(131131)38(3435)2331220(1423)26(33)172524162827(36183728)1519(24)893025h17141730H81318H2b2517
MFCD07640134
ZINC000101140869
ZINC101140869
Check stock
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Check stock on Vitas-MAvailable files
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