Vitas-M small molecule compound
(2S)-({2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)(phenyl)ethanoic acid
Catalog ID
STL460965
SMILES O=C(C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)C)N[C@@H](c1ccccc1)C(=O)O
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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 C25H25NO6 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO6/c1-14-20(13-12-18-17-10-6-7-11-19(17)25(30)32-22(14)18)31-15(2)23(27)26-21(24(28)29)16-8-4-3-5-9-16/h3-5,8-9,12-13,15,21H,6-7,10-11H2,1-2H3,(H,26,27)(H,28,29)/t15?,21-/m0/s1InChIKey
JUZNJLMPVMZQFK-FXMQYSIJSA-NSynonyms
956211-34-0(2S)((2((4methyl6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(2((4methyl6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)propanamido)2phenylaceticacid
(2S)2(2((4methyl6oxo78910tetrahydrobenzo(c)chromen3yl)oxy)propanoylamino)2phenylaceticacid
956211340
CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OC(C)C(=O)NC(C4=CC=CC=C4)C(=O)O
InChI=1SC25H25NO6c11420(1312181710671119(17)25(30)3222(14)18)3115(2)23(27)2621(24(28)29)168435916h358912131521H671011H212H3(H2627)(H2829)t15?21m0s1
O=C(C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)C)N(C@@H)(c1ccccc1)C(=O)O
ZINC000002104677
ZINC000002104679
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