Vitas-M small molecule compound
3-{[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK453567
SMILES O=C(C1C2CCC(C1C(=O)O)O2)Nc1scc(c1C(=O)N)c1ccc(cc1)Cl
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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 C19H17ClN2O5S MW 420.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O5S/c20-9-3-1-8(2-4-9)10-7-28-18(13(10)16(21)23)22-17(24)14-11-5-6-12(27-11)15(14)19(25)26/h1-4,7,11-12,14-15H,5-6H2,(H2,21,23)(H,22,24)(H,25,26)InChIKey
RLWVJHFTCFYGGN-UHFFFAOYSA-NSynonyms
2((3carbamoyl4(4chlorophenyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3carbamoyl4(4chlorophenyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(3CARBAMOYL4(4CHLOROPHENYL)2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
C1CC2C(C(C1O2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N)C(=O)O
InChI=1SC19H17ClN2O5Sc209318(249)1072818(13(10)16(21)23)2217(24)14115612(2711)15(14)19(25)26h14711121415H56H2(H22123)(H2224)(H2526)
MFCD04047990
ZINC000138974309
ZINC000225708997
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