Vitas-M small molecule compound

N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}-L-valine

Catalog ID
STL460974
SMILES O=C(N[C@H](C(=O)O)C(C)C)COc1cc(C)cc2c1c1CCCCc1c(=O)o2

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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/c1-11(2)19(20(24)25)22-17(23)10-27-15-8-12(3)9-16-18(15)13-6-4-5-7-14(13)21(26)28-16/h8-9,11,19H,4-7,10H2,1-3H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKey
KJQCQRGKHLUSAP-IBGZPJMESA-N
Synonyms
956777-50-7
(2S)3methyl2((2((3methyl6oxo78910tetrahydrobenzo(c)chromen1yl)oxy)acetyl)amino)butanoicacid
(S)3methyl2(2((3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl)oxy)acetamido)butanoicacid
956777507
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)NC(C(C)C)C(=O)O
InChI=1SC21H25NO6c111(2)19(20(24)25)2217(23)102715812(3)91618(15)13645714(13)21(26)2816h891119H4710H213H3(H2223)(H2425)t19m0s1
N(((3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl)oxy)acetyl)Lvaline
O=C(N(C@H)(C(=O)O)C(C)C)COc1cc(C)cc2c1c1CCCCc1c(=O)o2
ZINC000002099555
ZINC2099555

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Available files

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