Vitas-M small molecule compound
4-(2-methylbutan-2-yl)phenyl 3-(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)propanoate (non-preferred name)
Catalog ID
STK286486
SMILES CCC(c1ccc(cc1)OC(=O)CCN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)(C)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 C32H31NO4 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO4/c1-4-32(2,3)19-13-15-20(16-14-19)37-25(34)17-18-33-30(35)28-26-21-9-5-6-10-22(21)27(29(28)31(33)36)24-12-8-7-11-23(24)26/h5-16,26-29H,4,17-18H2,1-3H3InChIKey
SBFMLLGWYVPWNA-UHFFFAOYSA-NSynonyms
4(2methylbutan2yl)phenyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)propanoate(nonpreferredname)
CCC(C)(C)C1=CC=C(C=C1)OC(=O)CCN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC32H31NO4c1432(23)19131520(161419)3725(34)17183330(35)2826219561022(21)27(29(28)31(33)36)2412871123(24)26h5162629H41718H213H3
MFCD03577012
ZINC000009371815
ZINC000017988204
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