Vitas-M small molecule compound

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

Catalog ID
STL460687
SMILES CCCCc1cc(=O)oc2c1ccc(c2)OCC(=O)N[C@@H]([C@@H](CC)C)C(=O)O

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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 C21H27NO6 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO6/c1-4-6-7-14-10-19(24)28-17-11-15(8-9-16(14)17)27-12-18(23)22-20(21(25)26)13(3)5-2/h8-11,13,20H,4-7,12H2,1-3H3,(H,22,23)(H,25,26)/t13-,20+/m1/s1
InChIKey
QWTOCYKCNRKJNE-XCLFUZPHSA-N
Synonyms

(2S3R)2((2(4butyl2oxochromen7yl)oxyacetyl)amino)3methylpentanoicacid
(2S3S)2(2((4butyl2oxo2Hchromen7yl)oxy)acetamido)3methylpentanoicacid
CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C(C)CC)C(=O)O
CCCCc1cc(=O)oc2c1ccc(c2)OCC(=O)N(C@@H)((C@@H)(CC)C)C(=O)O
CCCCc1cc(=O)oc2c1ccc(c2)OCC(=O)N(C@@H)((C@H)(CC)C)C(=O)O
InChI=1SC21H27NO6c1467141019(24)28171115(8916(14)17)271218(23)2220(21(25)26)13(3)52h8111320H4712H213H3(H2223)(H2526)t1320+m1s1
MFCD10040645
N(((4butyl2oxo2Hchromen7yl)oxy)acetyl)Lisoleucine
ZINC000011866794
ZINC11866794

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Available files

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