Vitas-M small molecule compound
methyl 2-{[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
Catalog ID
STK665106
SMILES COC(=O)c1ccc2c(c1)nc(o2)SCC(=O)c1ccc2c(c1)CCCC2
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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 C21H19NO4S MW 381.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S/c1-25-20(24)16-8-9-19-17(11-16)22-21(26-19)27-12-18(23)15-7-6-13-4-2-3-5-14(13)10-15/h6-11H,2-5,12H2,1H3InChIKey
NLSFVAQLUHGENQ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C3=CC4=C(CCCC4)C=C3
InChI=1SC21H19NO4Sc12520(24)16891917(1116)2221(2619)271218(23)157613423514(13)1015h611H2512H21H3
methyl2((2oxo2(5678tetrahydronaphthalen2yl)ethyl)sulfanyl)13benzoxazole5carboxylate
methyl2(2oxo2(5678tetrahydronaphthalen2yl)ethyl)sulfanyl13benzoxazole5carboxylate
MFCD07800513
ZINC000004788936
ZINC04788936
ZINC4788936
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