Vitas-M small molecule compound
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine
Catalog ID
STL526145
SMILES CC[C@@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)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 C21H25NO6 MW 387.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO6/c1-3-12(2)19(20(24)25)22-18(23)11-27-13-8-9-15-14-6-4-5-7-16(14)21(26)28-17(15)10-13/h8-10,12,19H,3-7,11H2,1-2H3,(H,22,23)(H,24,25)/t12-,19-/m0/s1InChIKey
RIVJPCNBZYSPSH-BUXKBTBVSA-NSynonyms
554433-70-4(2~(S)3~(S))3methyl2((2((6oxo78910tetrahydrobenzo(c)chromen3yl)oxy)acetyl)amino)pentanoicacid
(2S3S)3methyl2(2((6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)acetamido)pentanoicacid
1789549
554433704
CC(C@@H)((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C
InChI=1SC21H25NO6c1312(2)19(20(24)25)2218(23)112713891514645716(14)21(26)2817(15)1013h8101219H3711H212H3(H2223)(H2425)t1219m0s1
MFCD02669386
N(((6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)acetyl)Lisoleucine
ZINC000002134563
ZINC2134563
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