Vitas-M small molecule compound
3-({3-[(butan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK472078
SMILES CCC(OC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=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 C23H29NO5S MW 431.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5S/c1-3-12(2)29-23(28)19-15-6-4-5-7-16(15)30-21(19)24-20(25)17-13-8-10-14(11-9-13)18(17)22(26)27/h8,10,12-14,17-18H,3-7,9,11H2,1-2H3,(H,24,25)(H,26,27)InChIKey
ZRTARTCKEOUQGK-UHFFFAOYSA-NSynonyms
2((3butan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3((butan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC23H29NO5Sc1312(2)2923(28)1915645716(15)3021(19)2420(25)171381014(11913)18(17)22(26)27h81012141718H37911H212H3(H2425)(H2627)
MFCD06060704
ZINC000102345785
ZINC000239439286
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