Vitas-M small molecule compound

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

Catalog ID
STL461059
SMILES O=C(N[C@H](C(=O)N[C@H](C(=O)O)C)C)COc1ccc2c(c1)oc(=O)c1c2CCCC1

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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 C21H24N2O7 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O7/c1-11(19(25)23-12(2)20(26)27)22-18(24)10-29-13-7-8-15-14-5-3-4-6-16(14)21(28)30-17(15)9-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t11-,12-/m0/s1
InChIKey
PSAMEINAOGIZIW-RYUDHWBXSA-N
Synonyms

(2S)2(((2S)2((2((6oxo78910tetrahydrobenzo(c)chromen3yl)oxy)acetyl)amino)propanoyl)amino)propanoicacid
(S)2((R)2(2((6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)acetamido)propanamido)propanoicacid
CC(C(=O)NC(C)C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2
InChI=1SC21H24N2O7c111(19(25)2312(2)20(26)27)2218(24)102913781514534616(14)21(28)3017(15)913h791112H3610H212H3(H2224)(H2325)(H2627)t1112m0s1
MFCD10040727
N(((6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)acetyl)LalanylLalanine
O=C(N(C@@H)(C(=O)N(C@H)(C(=O)O)C)C)COc1ccc2c(c1)oc(=O)c1c2CCCC1
O=C(N(C@H)(C(=O)N(C@H)(C(=O)O)C)C)COc1ccc2c(c1)oc(=O)c1c2CCCC1
ZINC000006929083
ZINC6929083

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Available files

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