Vitas-M small molecule compound
(2S,5R)-N-((2S,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide 4,4-dioxide
Catalog ID
STL565587
SMILES CCC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)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 C19H31N3O5S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31N3O5S/c1-5-11(2)15(17(24)20-12-8-6-7-9-12)21-18(25)16-19(3,4)28(26,27)14-10-13(23)22(14)16/h11-12,14-16H,5-10H2,1-4H3,(H,20,24)(H,21,25)/t11?,14-,15+,16+/m1/s1InChIKey
PQQLCFUYIOUZRY-JATSYGIVSA-NSynonyms
956826-95-2(2S5R)N((2S)1(cyclopentylamino)3methyl1oxopentan2yl)33dimethyl447trioxo4lambda6thia1azabicyclo(320)heptane2carboxamide
(2S5R)N((2S3R)1(cyclopentylamino)3methyl1oxopentan2yl)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxamide44dioxide
16404880
956826952
CCC((C@@H)(C(=O)NC1CCCC1)NC(=O)(C@@H)1N2C(=O)C(C@H)2S(=O)(=O)C1(C)C)C
InChI=1SC19H31N3O5Sc1511(2)15(17(24)2012867912)2118(25)1619(34)28(2627)141013(23)22(14)16h11121416H510H214H3(H2024)(H2125)t11?1415+16+m1s1
ZINC000004086452
ZINC000012885413
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