Vitas-M small molecule compound

N-{[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-isoleucine

Catalog ID
STL460736
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c(c2C)C)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 C19H23NO6 MW 361.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO6/c1-5-10(2)17(18(22)23)20-16(21)9-25-13-6-7-14-11(3)12(4)19(24)26-15(14)8-13/h6-8,10,17H,5,9H2,1-4H3,(H,20,21)(H,22,23)/t10-,17+/m1/s1
InChIKey
JWMYGLVKXABREZ-QGHHPUGFSA-N
Synonyms

(2S3R)2((2(34DIMETHYL2OXOCHROMEN7YL)OXYACETYL)AMINO)3METHYLPENTANOICACID
(2S3S)2(2((34dimethyl2oxo2Hchromen7yl)oxy)acetamido)3methylpentanoicacid
CC(C@@H)((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c(c2C)C)C
CC(C@H)((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c(c2C)C)C
CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C
InChI=1SC19H23NO6c1510(2)17(18(22)23)2016(21)92513671411(3)12(4)19(24)2615(14)813h681017H59H214H3(H2021)(H2223)t1017+m1s1
MFCD10040650
N(((34dimethyl2oxo2Hchromen7yl)oxy)acetyl)Lisoleucine
ZINC000006357716
ZINC6357716

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Available files

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