Vitas-M small molecule compound
6-({[1-(2-butoxyphenyl)cyclopentyl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Catalog ID
STL565334
SMILES CCCCOc1ccccc1C1(CCCC1)C(=O)NC1C(=O)N2C1SC(C2C(=O)[O-])(C)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 C24H31N2O5S MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O5S/c1-4-5-14-31-16-11-7-6-10-15(16)24(12-8-9-13-24)22(30)25-17-19(27)26-18(21(28)29)23(2,3)32-20(17)26/h6-7,10-11,17-18,20H,4-5,8-9,12-14H2,1-3H3,(H,25,30)(H,28,29)/p-1InChIKey
CFWDJJGYLRUXCE-UHFFFAOYSA-MSynonyms
4342732
6(((1(2butoxyphenyl)cyclopentyl)carbonyl)amino)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylate
6((1(2butoxyphenyl)cyclopentanecarbonyl)amino)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylate
CCCCOc1ccccc1C1(CCCC1)C(=O)NC1C(=O)N2C1SC((C@@H)2C(=O)(O))(C)C(Na+)
InChI=1SC24H32N2O5Sc14514311611761015(16)24(12891324)22(30)251719(27)2618(21(28)29)23(23)3220(17)26h671011171820H45891214H213H3(H2530)(H2829)p1
sodium(2S)6(1(2butoxyphenyl)cyclopentanecarboxamido)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylate
ZINC000002146593
ZINC000013548045
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