Vitas-M small molecule compound
3-{[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK423455
SMILES COC(=O)c1c(scc1c1cc(C)ccc1C)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 C23H25NO5S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S/c1-11-4-5-12(2)15(8-11)16-10-30-21(19(16)23(28)29-3)24-20(25)17-13-6-7-14(9-13)18(17)22(26)27/h4-5,8,10,13-14,17-18H,6-7,9H2,1-3H3,(H,24,25)(H,26,27)InChIKey
ICYDCUUFBAPBHR-UHFFFAOYSA-NSynonyms
2((4(25DIMETHYLPHENYL)3METHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((4(25dimethylphenyl)3(methoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(4(25DIMETHYLPHENYL)3(METHOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC23H25NO5Sc1114512(2)15(811)16103021(19(16)23(28)293)2420(25)17136714(913)18(17)22(26)27h4581013141718H679H213H3(H2425)(H2627)
MFCD02176648
ZINC000102186110
ZINC000138475821
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