Vitas-M small molecule compound
3-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK423452
SMILES COC(=O)c1c(scc1c1ccc(c(c1)C)C)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/c1-11-4-5-13(8-12(11)2)16-10-30-21(19(16)23(28)29-3)24-20(25)17-14-6-7-15(9-14)18(17)22(26)27/h4-5,8,10,14-15,17-18H,6-7,9H2,1-3H3,(H,24,25)(H,26,27)InChIKey
AQPFGMRILAIOMH-UHFFFAOYSA-NSynonyms
2((4(34DIMETHYLPHENYL)3METHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((4(34dimethylphenyl)3(methoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(4(34DIMETHYLPHENYL)3(METHOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3C4CCC(C4)C3C(=O)O)C
InChI=1SC23H25NO5Sc1114513(812(11)2)16103021(19(16)23(28)293)2420(25)17146715(914)18(17)22(26)27h4581014151718H679H213H3(H2425)(H2627)
MFCD02177192
ZINC000100863398
ZINC000135756168
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