Vitas-M small molecule compound
methyl 4-{[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)-4-(methylsulfanyl)butanoyl]amino}benzoate (non-preferred name)
Catalog ID
STK269244
SMILES COC(=O)c1ccc(cc1)NC(=O)C(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)CCSC
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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 C31H28N2O5S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O5S/c1-38-31(37)17-11-13-18(14-12-17)32-28(34)23(15-16-39-2)33-29(35)26-24-19-7-3-4-8-20(19)25(27(26)30(33)36)22-10-6-5-9-21(22)24/h3-14,23-27H,15-16H2,1-2H3,(H,32,34)InChIKey
UHLMTKUVMVMMCX-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H28N2O5Sc13831(37)17111318(141217)3228(34)23(1516392)3329(35)262419734820(19)25(27(26)30(33)36)221065921(22)24h3142327H1516H212H3(H3234)
methyl4((2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)4(methylsulfanyl)butanoyl)amino)benzoate(nonpreferredname)
MFCD02028516
ZINC000029747757
ZINC000097946001
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