Vitas-M small molecule compound
butyl 2-(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)hexanoate (non-preferred name)
Catalog ID
STK269411
SMILES CCCCC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)OCCCC
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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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-3-5-15-21(28(32)33-16-6-4-2)29-26(30)24-22-17-11-7-8-12-18(17)23(25(24)27(29)31)20-14-10-9-13-19(20)22/h7-14,21-25H,3-6,15-16H2,1-2H3InChIKey
OQPAMSKMUVBUBD-UHFFFAOYSA-NSynonyms
butyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoate(nonpreferredname)
CCCCC(C(=O)OCCCC)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI=1SC28H31NO4c1351521(28(32)3316642)2926(30)24221711781218(17)23(25(24)27(29)31)20141091319(20)22h7142125H361516H212H3
MFCD02614326
ZINC000009202467
ZINC000018176249
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