Vitas-M small molecule compound
3-{[2,5-bis(ethoxycarbonyl)phenyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK468041
SMILES CCOC(=O)c1ccc(cc1NC(=O)C1C2CCC(C1C(=O)O)C2)C(=O)OCC
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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 C21H25NO7 MW 403.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO7/c1-3-28-20(26)13-7-8-14(21(27)29-4-2)15(10-13)22-18(23)16-11-5-6-12(9-11)17(16)19(24)25/h7-8,10-12,16-17H,3-6,9H2,1-2H3,(H,22,23)(H,24,25)InChIKey
RYGSSSGJAXNPNZ-UHFFFAOYSA-NSynonyms
2((25bis(ethoxycarbonyl)phenyl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((25bis(ethoxycarbonyl)phenyl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(25BIS(ETHOXYCARBONYL)PHENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=O)C2C3CCC(C3)C2C(=O)O
InChI=1SC21H25NO7c132820(26)137814(21(27)2942)15(1013)2218(23)16115612(911)17(16)19(24)25h7810121617H369H212H3(H2223)(H2425)
MFCD06066648
ZINC000102332976
ZINC000138905845
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