Vitas-M small molecule compound
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)-N-(4-nitrophenyl)butanamide (non-preferred name)
Catalog ID
STK379950
SMILES CSCCC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
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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 C29H25N3O5S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5S/c1-38-15-14-22(27(33)30-16-10-12-17(13-11-16)32(36)37)31-28(34)25-23-18-6-2-3-7-19(18)24(26(25)29(31)35)21-9-5-4-8-20(21)23/h2-13,22-26H,14-15H2,1H3,(H,30,33)InChIKey
IYOPCPHPSUPNQU-UHFFFAOYSA-NSynonyms
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)4(methylsulfanyl)N(4nitrophenyl)butanamide(nonpreferredname)
CSCCC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
CSCCC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H25N3O5Sc138151422(27(33)3016101217(131116)32(36)37)3128(34)252318623719(18)24(26(25)29(31)35)21954820(21)23h2132226H1415H21H3(H3033)
MFCD02028507
ZINC000029747749
ZINC000100630418
Check stock
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Check stock on Vitas-MAvailable files
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