Vitas-M small molecule compound

Catalog ID
STK600400
SMILES OCCNC(=O)[C@H](C(CC)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 C21H27N3O6 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6/c1-4-12(3)18(21(28)22-6-7-25)23-20(27)14-10-24(5-2)15-9-17-16(29-11-30-17)8-13(15)19(14)26/h8-10,12,18,25H,4-7,11H2,1-3H3,(H,22,28)(H,23,27)/t12?,18-/m0/s1
InChIKey
UGCWFKLCHHVQFI-ZJFPTPTDSA-N
Synonyms
956930-64-6
5ethylN((2S)1(2hydroxyethylamino)3methyl1oxopentan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S3S)1((2hydroxyethyl)amino)3methyl1oxopentan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956930646
CCC(C)C(C(=O)NCCO)NC(=O)C1=CN(C2=CC3=C(C=C2C1=O)OCO3)CC
InChI=1SC21H27N3O6c1412(3)18(21(28)226725)2320(27)141024(52)1591716(29113017)813(15)19(14)26h810121825H4711H213H3(H2228)(H2327)t12?18m0s1
OCCNC(=O)(C@H)(C(CC)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
ZINC000009134361
ZINC000013623520

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.