Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-4-(furan-2-yl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK453493
SMILES CCOC(=O)c1c(scc1c1ccco1)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 C20H21NO6S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO6S/c1-2-26-20(25)16-12(13-4-3-7-27-13)9-28-18(16)21-17(22)14-10-5-6-11(8-10)15(14)19(23)24/h3-4,7,9-11,14-15H,2,5-6,8H2,1H3,(H,21,22)(H,23,24)InChIKey
KNOPBCQEJBVYKI-UHFFFAOYSA-NSynonyms
2((3ETHOXYCARBONYL4(FURAN2YL)THIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((3(ethoxycarbonyl)4(furan2yl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(3(ETHOXYCARBONYL)4(2FURYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC20H21NO6Sc122620(25)1612(134372713)92818(16)2117(22)14105611(810)15(14)19(23)24h3479111415H2568H21H3(H2122)(H2324)
MFCD02607721
ZINC000102306090
ZINC000139052682
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