Vitas-M small molecule compound

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

Catalog ID
STL460697
SMILES CCCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N[C@@H]([C@@H](CC)C)C(=O)O)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 C22H29NO6 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO6/c1-5-7-8-15-11-19(24)29-18-12-16(9-10-17(15)18)28-14(4)21(25)23-20(22(26)27)13(3)6-2/h9-14,20H,5-8H2,1-4H3,(H,23,25)(H,26,27)/t13-,14?,20+/m1/s1
InChIKey
TWXJEQAZBVNJCP-ADKFOTCNSA-N
Synonyms

(2S3R)2(2(4butyl2oxochromen7yl)oxypropanoylamino)3methylpentanoicacid
(2S3S)2(2((4butyl2oxo2Hchromen7yl)oxy)propanamido)3methylpentanoicacid
CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C(C)CC)C(=O)O
CCCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N(C@@H)((C@@H)(CC)C)C(=O)O)C
CCCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N(C@@H)((C@H)(CC)C)C(=O)O)C
InChI=1SC22H29NO6c1578151119(24)29181216(91017(15)18)2814(4)21(25)2320(22(26)27)13(3)62h91420H58H214H3(H2325)(H2627)t1314?20+m1s1
MFCD10040646
N(2((4butyl2oxo2Hchromen7yl)oxy)propanoyl)Lisoleucine
ZINC000011866795
ZINC000011866796

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Available files

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