Vitas-M small molecule compound
methyl 2-({[(3R)-3,6-dimethyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]carbonyl}amino)benzoate
Catalog ID
STK613755
SMILES COC(=O)c1ccccc1NC(=O)[C@]1(C)OC(=O)c2c(C1)cc(cc2)C
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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/c1-12-8-9-14-13(10-12)11-20(2,26-18(14)23)19(24)21-16-7-5-4-6-15(16)17(22)25-3/h4-10H,11H2,1-3H3,(H,21,24)/t20-/m1/s1InChIKey
LLYPDXPUOJXYLH-HXUWFJFHSA-NSynonyms
CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3C(=O)OC
COC(=O)c1ccccc1NC(=O)(C@)1(C)OC(=O)c2c(C1)cc(cc2)C
COC(=O)c1ccccc1NC(=O)C1(C)OC(=O)c2c(C1)cc(cc2)C
InChI=1SC20H19NO5c112891413(1012)1120(22618(14)23)19(24)2116754615(16)17(22)253h410H11H213H3(H2124)t20m1s1
methyl2((((3R)36dimethyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzoate
METHYL2(((3R)36DIMETHYL1OXO4HISOCHROMENE3CARBONYL)AMINO)BENZOATE
methyl2(36dimethyl1oxoisochroman3carboxamido)benzoate
MFCD18158676
ZINC000005322602
ZINC05322602
ZINC5322602
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