Vitas-M small molecule compound

dimethyl 2-{[(1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STK867579
SMILES COC(=O)c1ccc(cc1NC(=O)C1OC(=O)c2c(C1)cccc2)C(=O)OC

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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 C20H17NO7 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO7/c1-26-18(23)12-7-8-14(19(24)27-2)15(9-12)21-17(22)16-10-11-5-3-4-6-13(11)20(25)28-16/h3-9,16H,10H2,1-2H3,(H,21,22)
InChIKey
LUVWBMFCFAEULA-UHFFFAOYSA-N
Synonyms
786674-53-1
786674531
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CC3=CC=CC=C3C(=O)O2
DIMETHYL2((((3R)1OXO34DIHYDRO1HISOCHROMEN3YL)CARBONYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2((((3S)1OXO34DIHYDRO1HISOCHROMEN3YL)CARBONYL)AMINO)BENZENE14DICARBOXYLATE
dimethyl2(((1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzene14dicarboxylate
DIMETHYL2((1OXO34DIHYDROISOCHROMENE3CARBONYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2(1OXOISOCHROMAN3CARBOXAMIDO)TEREPHTHALATE
InChI=1SC20H17NO7c12618(23)127814(19(24)272)15(912)2117(22)161011534613(11)20(25)2816h3916H10H212H3(H2122)
METHYL4(METHOXYCARBONYL)3((1OXOISOCHROMAN3YL)CARBONYLAMINO)BENZOATE
MFCD06640536
ZINC000001887461
ZINC000001887463

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Available files

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