Vitas-M small molecule compound
3-methylphenyl 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)cyclohexanecarboxylate (non-preferred name)
Catalog ID
STK275560
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)Oc1cccc(c1)C
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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 C32H29NO4 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO4/c1-18-7-6-8-21(17-18)37-32(36)19-13-15-20(16-14-19)33-30(34)28-26-22-9-2-3-10-23(22)27(29(28)31(33)35)25-12-5-4-11-24(25)26/h2-12,17,19-20,26-29H,13-16H2,1H3InChIKey
WGTNOHNWRXCUPX-UHFFFAOYSA-NSynonyms
3methylphenyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)cyclohexanecarboxylate(nonpreferredname)
CC1=CC(=CC=C1)OC(=O)C2CCC(CC2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC32H29NO4c11876821(1718)3732(36)19131520(161419)3330(34)2826229231023(22)27(29(28)31(33)35)2512541124(25)26h2121719202629H1316H21H3
MFCD03037733
ZINC000001458763
ZINC000017988466
Check stock
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