Vitas-M small molecule compound
methyl 2-{[(6-chloro-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5-dimethoxybenzoate
Catalog ID
STK600836
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)C1(C)OC(=O)c2c(C1)cc(cc2)Cl)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 C21H20ClNO7 MW 433.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO7/c1-21(10-11-7-12(22)5-6-13(11)19(25)30-21)20(26)23-15-9-17(28-3)16(27-2)8-14(15)18(24)29-4/h5-9H,10H2,1-4H3,(H,23,26)InChIKey
NDDKYJXARNRGFO-UHFFFAOYSA-NSynonyms
900292-78-6900292786
CC1(CC2=C(C=CC(=C2)Cl)C(=O)O1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC
InChI=1SC21H20ClNO7c121(1011712(22)5613(11)19(25)3021)20(26)2315917(283)16(272)814(15)18(24)294h59H10H214H3(H2326)
methyl2(((6chloro3methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)45dimethoxybenzoate
METHYL2((6CHLORO3METHYL1OXO4HISOCHROMENE3CARBONYL)AMINO)45DIMETHOXYBENZOATE
methyl2(6chloro3methyl1oxoisochroman3carboxamido)45dimethoxybenzoate
MFCD06774322
ZINC000009450608
ZINC000009450610
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