Vitas-M small molecule compound
4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK168471
SMILES COCCN1C(=O)/C(=C\c2ccc(cc2)C(=O)O)/C(=C1C)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 C18H19NO6 MW 345.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO6/c1-11-15(18(23)25-3)14(16(20)19(11)8-9-24-2)10-12-4-6-13(7-5-12)17(21)22/h4-7,10H,8-9H2,1-3H3,(H,21,22)/b14-10-InChIKey
KGZIYQNYFIMAJP-UVTDQMKNSA-NSynonyms
371232-86-9(Z)4((4(methoxycarbonyl)1(2methoxyethyl)5methyl2oxo1Hpyrrol3(2H)ylidene)methyl)benzoicacid
371232869
4((Z)(4(METHOXYCARBONYL)1(2METHOXYETHYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4METHOXYCARBONYL1(2METHOXYETHYL)5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1CCOC)C(=O)OC
COCCN1C(=O)C(=Cc2ccc(cc2)C(=O)O)C(=C1C)C(=O)OC
InChI=1SC18H19NO6c11115(18(23)253)14(16(20)19(11)89242)10124613(7512)17(21)22h4710H89H213H3(H2122)b1410
MFCD03006740
ZINC000001833555
ZINC1833555
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