Vitas-M small molecule compound
3-({3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK471260
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1sccc1C(=O)Nc1ccc(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 C21H21ClN2O4S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4S/c22-13-5-7-14(8-6-13)23-18(25)15-9-10-29-20(15)24-19(26)16-11-1-3-12(4-2-11)17(16)21(27)28/h5-12,16-17H,1-4H2,(H,23,25)(H,24,26)(H,27,28)InChIKey
VZFXWLCPZKYMQK-UHFFFAOYSA-NSynonyms
2((3((4chlorophenyl)carbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3((4chlorophenyl)carbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(N(4CHLOROPHENYL)CARBAMOYL)2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)NC3=C(C=CS3)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC21H21ClN2O4Sc22135714(8613)2318(25)159102920(15)2419(26)16111312(4211)17(16)21(27)28h5121617H14H2(H2325)(H2426)(H2728)
MFCD06025327
ZINC000017098231
ZINC000017098234
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