Vitas-M small molecule compound
3-({3-[(butan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL174805
SMILES CCC(OC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc2c1CCCC2)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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-3-11(2)28-22(27)18-14-6-4-5-7-15(14)29-20(18)23-19(24)16-12-8-9-13(10-12)17(16)21(25)26/h8-9,11-13,16-17H,3-7,10H2,1-2H3,(H,23,24)(H,25,26)InChIKey
RYRLLQGGPVZURO-UHFFFAOYSA-NSynonyms
1052650-52-81052650528
2((3butan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3((butan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC22H27NO5Sc1311(2)2822(27)1814645715(14)2920(18)2319(24)16128913(1012)17(16)21(25)26h8911131617H3710H212H3(H2324)(H2526)
MFCD06060699
ZINC000102439719
ZINC000245253915
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