Vitas-M small molecule compound
3-{3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl}-4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Catalog ID
STK718141
SMILES CC(=C)COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2
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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 C29H31N3O4S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c1-18(2)17-35-24-11-9-21-19(3)22(29(34)36-27(21)20(24)4)10-12-26(33)31-13-15-32(16-14-31)28-23-7-5-6-8-25(23)37-30-28/h5-9,11H,1,10,12-17H2,2-4H3InChIKey
MSXWEFUGKQFZSL-UHFFFAOYSA-NSynonyms
1010932-32-71010932327
3(3(4(12benzothiazol3yl)piperazin1yl)3oxopropyl)48dimethyl7((2methylprop2en1yl)oxy)2Hchromen2one
3(3(4(12benzothiazol3yl)piperazin1yl)3oxopropyl)48dimethyl7(2methylprop2enoxy)chromen2one
3(3(4(benzo(d)isothiazol3yl)piperazin1yl)3oxopropyl)48dimethyl7((2methylallyl)oxy)2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CCC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54
InChI=1SC29H31N3O4Sc118(2)1735241192119(3)22(29(34)3627(21)20(24)4)101226(33)31131532(161431)2823756825(23)373028h5911H1101217H224H3
MFCD12203480
ZINC000012407170
ZINC12407170
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