Vitas-M small molecule compound

N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]propanoyl}-L-isoleucine

Catalog ID
STL460918
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)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 C22H27NO6 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO6/c1-5-12(3)19(21(25)26)23-20(24)13(4)28-16-9-11(2)10-17-18(16)14-7-6-8-15(14)22(27)29-17/h9-10,12-13,19H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t12-,13?,19+/m1/s1
InChIKey
PVLOUJCJHGPYTH-IYRHBAIHSA-N
Synonyms

(2S3R)3methyl2(2((7methyl4oxo23dihydro1Hcyclopenta(c)chromen9yl)oxy)propanoylamino)pentanoicacid
(2S3S)3methyl2(2((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)propanamido)pentanoicacid
CC(C@@H)((C@@H)(C(=O)O)NC(=O)C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)C)C
CC(C@H)((C@@H)(C(=O)O)NC(=O)C(Oc1cc(C)cc2c1c1CCCc1c(=O)o2)C)C
CCC(C)C(C(=O)O)NC(=O)C(C)OC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C
InChI=1SC22H27NO6c1512(3)19(21(25)26)2320(24)13(4)2816911(2)101718(16)1476815(14)22(27)2917h910121319H58H214H3(H2324)(H2526)t1213?19+m1s1
MFCD10040675
N(2((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)propanoyl)Lisoleucine
ZINC000006678256
ZINC000011866825

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Available files

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