Vitas-M small molecule compound
3-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK420016
SMILES O=C(C1C2CCC(C1C(=O)O)C2)Nc1sc(c(c1C(=O)N)c1ccccc1)C
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-10-14(11-5-3-2-4-6-11)17(18(22)24)20(28-10)23-19(25)15-12-7-8-13(9-12)16(15)21(26)27/h2-6,12-13,15-16H,7-9H2,1H3,(H2,22,24)(H,23,25)(H,26,27)InChIKey
ASHUMHUOECUMPQ-UHFFFAOYSA-NSynonyms
492456-62-92((3CARBAMOYL5METHYL4PHENYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((3carbamoyl5methyl4phenylthiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
492456629
CC1=C(C(=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O)C(=O)N)C4=CC=CC=C4
InChI=1SC21H22N2O4Sc11014(115324611)17(18(22)24)20(2810)2319(25)15127813(912)16(15)21(26)27h2612131516H79H21H3(H22224)(H2325)(H2627)
MFCD02244702
ZINC000100621546
ZINC000139114998
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