Vitas-M small molecule compound
1-(biphenyl-4-yl)-1-oxohexan-2-yl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
Catalog ID
STK268953
SMILES CCCCC(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
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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 C43H35NO5 MW 645.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H35NO5/c1-2-3-17-35(40(45)28-20-18-27(19-21-28)26-11-5-4-6-12-26)49-43(48)29-22-24-30(25-23-29)44-41(46)38-36-31-13-7-8-14-32(31)37(39(38)42(44)47)34-16-10-9-15-33(34)36/h4-16,18-25,35-39H,2-3,17H2,1H3InChIKey
YUUBXERZHFPDAP-UHFFFAOYSA-NSynonyms
1(biphenyl4yl)1oxohexan2yl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CCCCC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C(=O)C5C(C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI=1SC43H35NO5c1231735(40(45)28201827(192128)26115461226)4943(48)29222430(252329)4441(46)38363113781432(31)37(39(38)42(44)47)34161091533(34)36h41618253539H2317H21H3
MFCD01623876
ZINC000004180036
ZINC000230023259
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