Vitas-M small molecule compound
17-[2-(3,4-dimethoxyphenyl)ethyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STL059329
SMILES COc1cc(CCN2C(=O)C3C(C2=O)C2c4c(C3c3c2cccc3)cccc4)ccc1OC
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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 C28H25NO4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4/c1-32-21-12-11-16(15-22(21)33-2)13-14-29-27(30)25-23-17-7-3-4-8-18(17)24(26(25)28(29)31)20-10-6-5-9-19(20)23/h3-12,15,23-26H,13-14H2,1-2H3InChIKey
INEYVMRLZRZHBP-UHFFFAOYSA-NSynonyms
(9R10S11S15R)13(34dimethoxyphenethyl)1011dihydro9H910(34)epipyrroloanthracene1214(13H15H)dione
17(2(34dimethoxyphenyl)ethyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
COC1=C(C=C(C=C1)CCN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)OC
COc1cc(CCN2C(=O)C3(C@@H)(C2=O)C2c4c(C3c3c2cccc3)cccc4)ccc1OC
InChI=1SC28H25NO4c13221121116(1522(21)332)13142927(30)252317734818(17)24(26(25)28(29)31)201065919(20)23h312152326H1314H212H3
MFCD01049316
ZINC000000866639
ZINC000018272292
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