Vitas-M small molecule compound

N~5~-carbamoyl-N~2~-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-L-ornithylglycine

Catalog ID
STL529620
SMILES O=C(N[C@H](C(=O)NCC(=O)O)CCCNC(=O)N)CCc1c(=O)oc2c(c1C)cc(c(c2)O)Cl

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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 C21H25ClN4O8 MW 496.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN4O8/c1-10-11(20(32)34-16-8-15(27)13(22)7-12(10)16)4-5-17(28)26-14(3-2-6-24-21(23)33)19(31)25-9-18(29)30/h7-8,14,27H,2-6,9H2,1H3,(H,25,31)(H,26,28)(H,29,30)(H3,23,24,33)/t14-/m0/s1
InChIKey
WMAGDLPHMLGPPT-AWEZNQCLSA-N
Synonyms
956975-30-7
(S)2(2(3(6CHLORO7HYDROXY4METHYL2OXO2HCHROMEN3YL)PROPANAMIDO)5UREIDOPENTANAMIDO)ACETICACID
16404073
2(((2~(S))5(carbamoylamino)2(3(6chloro7hydroxy4methyl2oxochromen3yl)propanoylamino)pentanoyl)amino)aceticacid
956975307
InChI=1SC21H25ClN4O8c11011(20(32)3416815(27)13(22)712(10)16)4517(28)2614(3262421(23)33)19(31)25918(29)30h781427H269H21H3(H2531)(H2628)(H2930)(H3232433)t14m0s1
N~5~carbamoylN~2~(3(6chloro7hydroxy4methyl2oxo2Hchromen3yl)propanoyl)Lornithylglycine
N5CARBAMOYLN2(3(6CHLORO7HYDROXY4METHYL2OXO2HCHROMEN3YL)PROPANOYL)LORNITHYLGLYCINE
O=C(N(C@H)(C(=O)NCC(=O)O)CCCNC(=O)N)CCc1c(=O)oc2c(c1C)cc(c(c2)O)Cl
ZINC000008790310
ZINC8790310

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Available files

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