Vitas-M small molecule compound
6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Catalog ID
STK177351
SMILES [O-]C(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl
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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 C19H17ClN3O5S MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/p-1InChIKey
LQOLIRLGBULYKD-UHFFFAOYSA-MSynonyms
(O)C(=O)(C@@H)1N2C(=O)(C@H)((C@H)2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl(Na+)
(O)C(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl
6(((3(2CHLOROPHENYL)5METHYL12OXAZOL4YL)CARBONYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLATE
6((3(2CHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLATE
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)(O)
InChI=1SC19H18ClN3O5Sc1811(12(22288)9645710(9)20)15(24)211316(25)2314(18(26)27)19(23)2917(13)23h47131417H13H3(H2124)(H2627)p1
sodium(2S5R6R)6(3(2chlorophenyl)5methylisoxazole4carboxamido)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylate
ZINC000003830593
ZINC000021986197
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.