Vitas-M small molecule compound
3-{3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl}-4,8-dimethyl-2-oxo-2H-chromen-7-yl acetate
Catalog ID
STK624216
SMILES CC(=O)Oc1ccc2c(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 C27H27N3O5S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S/c1-16-19-8-10-22(34-18(3)31)17(2)25(19)35-27(33)20(16)9-11-24(32)29-12-14-30(15-13-29)26-21-6-4-5-7-23(21)36-28-26/h4-8,10H,9,11-15H2,1-3H3InChIKey
XZWOBRARXVQFBC-UHFFFAOYSA-NSynonyms
951954-27-1(3(3(4(12benzothiazol3yl)piperazin1yl)3oxopropyl)48dimethyl2oxochromen7yl)acetate
3(3(4(12benzothiazol3yl)piperazin1yl)3oxopropyl)48dimethyl2oxo2Hchromen7ylacetate
3(3(4(benzo(d)isothiazol3yl)piperazin1yl)3oxopropyl)48dimethyl2oxo2Hchromen7ylacetate
951954271
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C)CCC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54
InChI=1SC27H27N3O5Sc1161981022(3418(3)31)17(2)25(19)3527(33)20(16)91124(32)29121430(151329)2621645723(21)362826h4810H91115H213H3
MFCD09850221
ZINC000013685753
ZINC13685753
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