Vitas-M small molecule compound

5-ethyl-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

Catalog ID
STK605315
SMILES CSCC[C@@H](C(=O)NC(C)C)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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-5-24-10-14(19(25)13-8-17-18(9-16(13)24)29-11-28-17)20(26)23-15(6-7-30-4)21(27)22-12(2)3/h8-10,12,15H,5-7,11H2,1-4H3,(H,22,27)(H,23,26)/t15-/m0/s1
InChIKey
SUYCCQFIZNFJFR-HNNXBMFYSA-N
Synonyms
1013751-75-1
(S)5ethylN(1(isopropylamino)4(methylthio)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1013751751
5ethylN((2S)4(methylsulfanyl)1oxo1(propan2ylamino)butan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)4methylsulfanyl1oxo1(propan2ylamino)butan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NC(C)C
CSCC(C@@H)(C(=O)NC(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC21H27N3O5Sc15241014(19(25)1381718(916(13)24)29112817)20(26)2315(67304)21(27)2212(2)3h8101215H5711H214H3(H2227)(H2326)t15m0s1
MFCD08292529
ZINC000013609395
ZINC13609395

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Available files

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