Vitas-M small molecule compound

Catalog ID
STK609972
SMILES OCCCNC(=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 C22H29N3O6 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O6/c1-4-13(3)19(22(29)23-7-6-8-26)24-21(28)15-11-25(5-2)16-10-18-17(30-12-31-18)9-14(16)20(15)27/h9-11,13,19,26H,4-8,12H2,1-3H3,(H,23,29)(H,24,28)/t13?,19-/m0/s1
InChIKey
JZCLDWOWLRZGSV-YFKXAPIDSA-N
Synonyms
1014085-69-8
1014085698
5ethylN((2S)1(3hydroxypropylamino)3methyl1oxopentan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S3S)1((3hydroxypropyl)amino)3methyl1oxopentan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
CCC(C)C(C(=O)NCCCO)NC(=O)C1=CN(C2=CC3=C(C=C2C1=O)OCO3)CC
InChI=1SC22H29N3O6c1413(3)19(22(29)2376826)2421(28)151125(52)16101817(30123118)914(16)20(15)27h911131926H4812H213H3(H2329)(H2428)t13?19m0s1
OCCCNC(=O)(C@H)(C(CC)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
ZINC000013629911
ZINC000013629913

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Available files

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