Vitas-M small molecule compound
3-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK468566
SMILES CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)C1C2CCC(C1C(=O)O)C=C2)(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 C24H32N2O4S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4S/c1-4-24(2,3)14-9-10-15-16(11-14)31-22(19(15)20(25)27)26-21(28)17-12-5-7-13(8-6-12)18(17)23(29)30/h5,7,12-14,17-18H,4,6,8-11H2,1-3H3,(H2,25,27)(H,26,28)(H,29,30)InChIKey
DXCGBDPTXJYQOF-UHFFFAOYSA-NSynonyms
2((3carbamoyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3carbamoyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC24H32N2O4Sc1424(23)149101516(1114)3122(19(15)20(25)27)2621(28)17125713(8612)18(17)23(29)30h5712141718H46811H213H3(H22527)(H2628)(H2930)
MFCD06060280
ZINC000102334378
ZINC000239038773
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