Vitas-M small molecule compound
4-tert-butylphenyl (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)acetate (non-preferred name)
Catalog ID
STK286488
SMILES O=C(CN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)Oc1ccc(cc1)C(C)(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 C30H27NO4 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO4/c1-30(2,3)17-12-14-18(15-13-17)35-23(32)16-31-28(33)26-24-19-8-4-5-9-20(19)25(27(26)29(31)34)22-11-7-6-10-21(22)24/h4-15,24-27H,16H2,1-3H3InChIKey
JNNFDYKJCKSTGN-UHFFFAOYSA-NSynonyms
4tertbutylphenyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
CC(C)(C)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC30H27NO4c130(23)17121418(151317)3523(32)163128(33)262419845920(19)25(27(26)29(31)34)2211761021(22)24h4152427H16H213H3
MFCD03577057
ZINC000001098028
ZINC000017920513
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