Vitas-M small molecule compound
4-(1,8-dimethyl-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 acetate (non-preferred name)
Catalog ID
STK260112
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)c2c1cccc2)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 C28H23NO4 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO4/c1-16(30)33-18-14-12-17(13-15-18)29-25(31)23-24(26(29)32)28(3)21-10-6-4-8-19(21)27(23,2)20-9-5-7-11-22(20)28/h4-15,23-24H,1-3H3InChIKey
USQFJJVIOVIYNH-UHFFFAOYSA-NSynonyms
4(18dimethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylacetate(nonpreferredname)
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C
InChI=1SC28H23NO4c116(30)3318141217(131518)2925(31)2324(26(29)32)28(3)211064819(21)27(232)209571122(20)28h4152324H13H3
MFCD03134601
ZINC000001190039
ZINC000018272231
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