Vitas-M small molecule compound

Catalog ID
STK614260
SMILES CCC([C@@H](C(=O)N1CCC(CC1)C(=O)OC)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C

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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 C26H33N3O7 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O7/c1-5-15(3)22(25(32)29-9-7-16(8-10-29)26(33)34-4)27-24(31)18-13-28(6-2)19-12-21-20(35-14-36-21)11-17(19)23(18)30/h11-13,15-16,22H,5-10,14H2,1-4H3,(H,27,31)/t15?,22-/m0/s1
InChIKey
LXVBMRYXANFEOU-CEISFSOZSA-N
Synonyms
1014083-79-4
1014083794
CCC((C@@H)(C(=O)N1CCC(CC1)C(=O)OC)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C
CCC(C)C(C(=O)N1CCC(CC1)C(=O)OC)NC(=O)C2=CN(C3=CC4=C(C=C3C2=O)OCO4)CC
InChI=1SC26H33N3O7c1515(3)22(25(32)299716(81029)26(33)344)2724(31)181328(62)19122120(35143621)1117(19)23(18)30h1113151622H51014H214H3(H2731)t15?22m0s1
methyl1((2S)2((5ethyl8oxo(13)dioxolo(45g)quinoline7carbonyl)amino)3methylpentanoyl)piperidine4carboxylate
methyl1((2S3S)2(5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamido)3methylpentanoyl)piperidine4carboxylate
ZINC000009134846
ZINC000013623598

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Available files

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