Vitas-M small molecule compound
3-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid
Catalog ID
STK619758
SMILES CCOc1cccc(=O)c2c1c(C)n(c2C)c1cccc(c1)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 C20H19NO4 MW 337.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO4/c1-4-25-17-10-6-9-16(22)18-12(2)21(13(3)19(17)18)15-8-5-7-14(11-15)20(23)24/h5-11H,4H2,1-3H3,(H,23,24)InChIKey
AXFPYPDTEASIRH-UHFFFAOYSA-NSynonyms
951974-54-23(4ethoxy13dimethyl8oxocyclohepta(c)pyrrol2yl)benzoicacid
3(8ethoxy13dimethyl4oxocyclohepta(c)pyrrol2(4H)yl)benzoicacid
951974542
CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=CC(=C3)C(=O)O)C
InChI=1SC20H19NO4c142517106916(22)1812(2)21(13(3)19(17)18)1585714(1115)20(23)24h511H4H213H3(H2324)
MFCD09850044
ZINC000013684684
ZINC13684684
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