Vitas-M small molecule compound

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

Catalog ID
STL526314
SMILES CC[C@@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)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 C20H23NO6 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO6/c1-3-11(2)18(19(23)24)21-17(22)10-26-12-7-8-14-13-5-4-6-15(13)20(25)27-16(14)9-12/h7-9,11,18H,3-6,10H2,1-2H3,(H,21,22)(H,23,24)/t11-,18-/m0/s1
InChIKey
QPENAIQCDDHXTR-VOJFVSQTSA-N
Synonyms
956809-11-3
(2~(S)3~(S))3methyl2((2((4oxo23dihydro1~(H)cyclopenta(c)chromen7yl)oxy)acetyl)amino)pentanoicacid
(2S3S)3METHYL2((2((4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)OXY)ACETYL)AMINO)PENTANOICACID
(2S3S)3methyl2(2((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetamido)pentanoicacid
7078807
956809113
CC(C@@H)((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C
InChI=1SC20H23NO6c1311(2)18(19(23)24)2117(22)10261278141354615(13)20(25)2716(14)912h791118H3610H212H3(H2122)(H2324)t1118m0s1
MFCD02925713
N(((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetyl)Lisoleucine
ZINC000004029009
ZINC4029009

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Available files

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