Vitas-M small molecule compound
ethyl 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
STK269241
SMILES CCOC(=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 C32H30N2O5S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O5S/c1-3-39-32(38)18-12-14-19(15-13-18)33-29(35)24(16-17-40-2)34-30(36)27-25-20-8-4-5-9-21(20)26(28(27)31(34)37)23-11-7-6-10-22(23)25/h4-15,24-28H,3,16-17H2,1-2H3,(H,33,35)InChIKey
NFRZVMZFJWNBKP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
ethyl4((2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)4(methylsulfanyl)butanoyl)amino)benzoate(nonpreferredname)
InChI=1SC32H30N2O5Sc133932(38)18121419(151318)3329(35)24(1617402)3430(36)272520845921(20)26(28(27)31(34)37)2311761022(23)25h4152428H31617H212H3(H3335)
MFCD02028510
ZINC000029747753
ZINC000097948138
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