Vitas-M small molecule compound

dimethyl 2-{[(6-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STK598363
SMILES COC(=O)c1ccc(cc1NC(=O)C1OC(=O)c2c(C1)cc(cc2)C)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 C21H19NO7 MW 397.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO7/c1-11-4-6-14-13(8-11)10-17(29-21(14)26)18(23)22-16-9-12(19(24)27-2)5-7-15(16)20(25)28-3/h4-9,17H,10H2,1-3H3,(H,22,23)
InChIKey
CZOLQACFVRJPHF-UHFFFAOYSA-N
Synonyms
874466-93-0
874466930
CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC
dimethyl2(((6methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzene14dicarboxylate
DIMETHYL2(((6METHYL1OXO34DIHYDRO1HISOCHROMEN3YL)CARBONYL)AMINO)TEREPHTHALATE
DIMETHYL2((6METHYL1OXO34DIHYDROISOCHROMENE3CARBONYL)AMINO)BENZENE14DICARBOXYLATE
dimethyl2(6methyl1oxoisochroman3carboxamido)terephthalate
InChI=1SC21H19NO7c111461413(811)1017(2921(14)26)18(23)2216912(19(24)272)5715(16)20(25)283h4917H10H213H3(H2223)
METHYL4(METHOXYCARBONYL)3((6METHYL1OXOISOCHROMAN3YL)CARBONYLAMINO)BENZOATE
MFCD06774671
ZINC000005245974
ZINC000005245976

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Available files

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