Vitas-M small molecule compound
3-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK451658
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)C1C2CCC(C1C(=O)O)C2
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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 C22H22ClNO5S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO5S/c1-2-29-22(28)18-15(11-5-7-14(23)8-6-11)10-30-20(18)24-19(25)16-12-3-4-13(9-12)17(16)21(26)27/h5-8,10,12-13,16-17H,2-4,9H2,1H3,(H,24,25)(H,26,27)InChIKey
LTKKNGLKBYXBCX-UHFFFAOYSA-NSynonyms
2((4(4chlorophenyl)3ethoxycarbonylthiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((4(4chlorophenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(4(4CHLOROPHENYL)3(ETHOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC22H22ClNO5Sc122922(28)1815(115714(23)8611)103020(18)2419(25)16123413(912)17(16)21(26)27h581012131617H249H21H3(H2425)(H2627)
MFCD02254735
ZINC000102301880
ZINC000138631318
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