Vitas-M small molecule compound
3-{2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-2-oxoethyl}-4,7-dimethyl-2-oxo-2H-chromen-5-yl acetate
Catalog ID
STL009674
SMILES CC(=O)Oc1cc(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 C28H28N2O8 MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O8/c1-16-12-22(36-18(3)31)26-17(2)19(28(34)38-23(26)13-16)14-25(32)29-8-10-30(11-9-29)27(33)24-15-35-20-6-4-5-7-21(20)37-24/h4-7,12-13,24H,8-11,14-15H2,1-3H3InChIKey
OVZALRPWRGTIBS-UHFFFAOYSA-NSynonyms
921075-71-0(3(2(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)2oxoethyl)47dimethyl2oxochromen5yl)acetate
3(2(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)2oxoethyl)47dimethyl2oxo2Hchromen5ylacetate
3(2(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)2oxoethyl)47dimethyl2oxo2Hchromen5ylacetate
921075710
CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)C)C(=C1)OC(=O)C
InChI=1SC28H28N2O8c1161222(3618(3)31)2617(2)19(28(34)3823(26)1316)1425(32)2981030(11929)27(33)24153520645721(20)3724h47121324H8111415H213H3
MFCD08747423
ZINC000009305994
ZINC000009305997
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