Vitas-M small molecule compound
5-ethyl-N-[(2S)-1-{[3-(1H-imidazol-1-yl)propyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK600733
SMILES CSCC[C@@H](C(=O)NCCCn1ccnc1)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
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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 C24H29N5O5S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O5S/c1-3-29-13-17(22(30)16-11-20-21(12-19(16)29)34-15-33-20)23(31)27-18(5-10-35-2)24(32)26-6-4-8-28-9-7-25-14-28/h7,9,11-14,18H,3-6,8,10,15H2,1-2H3,(H,26,32)(H,27,31)/t18-/m0/s1InChIKey
YFCKTKOMIGGGIC-SFHVURJKSA-NSynonyms
1014044-90-6(S)N(1((3(1Himidazol1yl)propyl)amino)4(methylthio)1oxobutan2yl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1014044906
5ethylN((2S)1((3(1Himidazol1yl)propyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(3imidazol1ylpropylamino)4methylsulfanyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NCCCN4C=CN=C4
CSCC(C@@H)(C(=O)NCCCn1ccnc1)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC24H29N5O5Sc13291317(22(30)16112021(1219(16)29)34153320)23(31)2718(510352)24(32)266482897251428h79111418H3681015H212H3(H2632)(H2731)t18m0s1
MFCD08291602
ZINC000009410862
ZINC9410862
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.