Vitas-M small molecule compound
methyl 5-methyl-2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoate
Catalog ID
STL017930
SMILES COC(=O)c1cc(C)ccc1NC(=O)C1(C)OC(=O)c2c(C1)cccc2
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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 C20H19NO5 MW 353.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO5/c1-12-8-9-16(15(10-12)17(22)25-3)21-19(24)20(2)11-13-6-4-5-7-14(13)18(23)26-20/h4-10H,11H2,1-3H3,(H,21,24)InChIKey
RQSDJXPRBXJOKJ-UHFFFAOYSA-NSynonyms
890646-54-5890646545
CC1=CC(=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)C(=O)OC
InChI=1SC20H19NO5c1128916(15(1012)17(22)253)2119(24)20(2)1113645714(13)18(23)2620h410H11H213H3(H2124)
methyl5methyl2(((3methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzoate
methyl5methyl2((3methyl1oxo4Hisochromene3carbonyl)amino)benzoate
METHYL5METHYL2((3METHYL1OXOISOCHROMAN3YL)CARBONYLAMINO)BENZOATE
METHYL5METHYL2(3METHYL1OXOISOCHROMAN3CARBOXAMIDO)BENZOATE
MFCD07802403
ZINC000005033516
ZINC000005033517
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