Vitas-M small molecule compound

[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetic acid

Catalog ID
STL467644
SMILES OC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc2c(c1)OCCCO2

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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 C23H18O7 MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18O7/c1-12-14-8-16-17(13-3-4-18-21(7-13)28-6-2-5-27-18)11-29-19(16)10-20(14)30-23(26)15(12)9-22(24)25/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,24,25)
InChIKey
KFPAJIRXKXZJBF-UHFFFAOYSA-N
Synonyms
1190243-53-8
(3(34dihydro2H15benzodioxepin7yl)5methyl7oxo7Hfuro(32g)chromen6yl)aceticacid
1190243538
2(3(34dihydro2H15benzodioxepin7yl)5methyl7oxofuro(32g)chromen6yl)aceticacid
2(3(34dihydro2Hbenzo(b)(14)dioxepin7yl)5methyl7oxo7Hfuro(32g)chromen6yl)aceticacid
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC5=C(C=C4)OCCCO5)CC(=O)O
InChI=1SC23H18O7c1121481617(13341821(713)286252718)112919(16)1020(14)3023(26)15(12)922(24)25h34781011H2569H21H3(H2425)
MFCD13677059
ZINC000036370013
ZINC36370013

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Available files

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