Vitas-M small molecule compound
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)phenyl heptanoate (non-preferred name)
Catalog ID
STK247426
SMILES CCCCCCC(=O)Oc1ccc(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 C31H29NO4 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO4/c1-2-3-4-5-14-25(33)36-20-17-15-19(16-18-20)32-30(34)28-26-21-10-6-7-11-22(21)27(29(28)31(32)35)24-13-9-8-12-23(24)26/h6-13,15-18,26-29H,2-5,14H2,1H3InChIKey
MBUBVWMVHXMTKC-UHFFFAOYSA-NSynonyms
4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylheptanoate(nonpreferredname)
CCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H29NO4c123451425(33)3620171519(161820)3230(34)28262110671122(21)27(29(28)31(32)35)2413981223(24)26h61315182629H2514H21H3
MFCD01174399
ZINC000002068341
ZINC000018240477
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