Vitas-M small molecule compound
3-({3-[(2,4-dimethoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK464221
SMILES COc1cc(OC)ccc1NC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=C3)sc2c1CCC2
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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 C26H28N2O6S MW 496.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O6S/c1-33-15-10-11-17(18(12-15)34-2)27-24(30)22-16-4-3-5-19(16)35-25(22)28-23(29)20-13-6-8-14(9-7-13)21(20)26(31)32/h6,8,10-14,20-21H,3-5,7,9H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)InChIKey
VXEMJIIGRZXVQO-UHFFFAOYSA-NSynonyms
2((3((24dimethoxyphenyl)carbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3((24dimethoxyphenyl)carbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(N(24DIMETHOXYPHENYL)CARBAMOYL)456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4C5CCC(C4C(=O)O)C=C5)OC
InChI=1SC26H28N2O6Sc13315101117(18(1215)342)2724(30)221643519(16)3525(22)2823(29)20136814(9713)21(20)26(31)32h6810142021H3579H212H3(H2730)(H2829)(H3132)
MFCD06023249
ZINC000102324419
ZINC000239235410
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