Vitas-M small molecule compound
3-{2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-2-oxoethyl}-5-methoxy-4,7-dimethyl-2H-chromen-2-one
Catalog ID
STK609897
SMILES COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
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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 C27H28N2O7 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7/c1-16-12-21(33-3)25-17(2)18(27(32)36-22(25)13-16)14-24(30)28-8-10-29(11-9-28)26(31)23-15-34-19-6-4-5-7-20(19)35-23/h4-7,12-13,23H,8-11,14-15H2,1-3H3InChIKey
UTIQYVGGUFNCOR-UHFFFAOYSA-NSynonyms
904010-12-43(2(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)2oxoethyl)5methoxy47dimethyl2Hchromen2one
3(2(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)2oxoethyl)5methoxy47dimethylchromen2one
3(2(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)2oxoethyl)5methoxy47dimethyl2Hchromen2one
904010124
CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)C)C(=C1)OC
InChI=1SC27H28N2O7c1161221(333)2517(2)18(27(32)3622(25)1316)1424(30)2881029(11928)26(31)23153419645720(19)3523h47121323H8111415H213H3
MFCD08292887
ZINC000013609940
ZINC000013609945
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