Vitas-M small molecule compound
4-({[(3R)-3,6-dimethyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]carbonyl}amino)benzoic acid
Catalog ID
STK604695
SMILES Cc1ccc2c(c1)C[C@](OC2=O)(C)C(=O)Nc1ccc(cc1)C(=O)O
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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 C19H17NO5 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO5/c1-11-3-8-15-13(9-11)10-19(2,25-17(15)23)18(24)20-14-6-4-12(5-7-14)16(21)22/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)/t19-/m1/s1InChIKey
SSCFKTRNJJPYTO-LJQANCHMSA-NSynonyms
4((((3R)36dimethyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzoicacid
4(((3R)36DIMETHYL1OXO4HISOCHROMENE3CARBONYL)AMINO)BENZOICACID
4(36dimethyl1oxoisochroman3carboxamido)benzoicacid
CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=C(C=C3)C(=O)O
Cc1ccc2c(c1)C(C@)(OC2=O)(C)C(=O)Nc1ccc(cc1)C(=O)O
Cc1ccc2c(c1)CC(OC2=O)(C)C(=O)Nc1ccc(cc1)C(=O)O
InChI=1SC19H17NO5c111381513(911)1019(22517(15)23)18(24)20146412(5714)16(21)22h39H10H212H3(H2024)(H2122)t19m1s1
MFCD08361827
ZINC000005321886
ZINC5321886
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