Vitas-M small molecule compound
5-({3-[(2,5-dimethoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}amino)-3-methyl-5-oxopentanoic acid
Catalog ID
STK471378
SMILES COc1ccc(c(c1)NC(=O)c1c(NC(=O)CC(CC(=O)O)C)sc2c1CCC2)OC
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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 C22H26N2O6S MW 446.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O6S/c1-12(10-19(26)27)9-18(25)24-22-20(14-5-4-6-17(14)31-22)21(28)23-15-11-13(29-2)7-8-16(15)30-3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)InChIKey
PPPQPAVWLQXOFR-UHFFFAOYSA-NSynonyms
4(N(3(N(25DIMETHOXYPHENYL)CARBAMOYL)(456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL))CARBAMOYL)3METHYLBUTANOICACID
5((3((25dimethoxyphenyl)carbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)amino)3methyl5oxopentanoicacid
CC(CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)NC3=C(C=CC(=C3)OC)OC)CC(=O)O
InChI=1SC22H26N2O6Sc112(1019(26)27)918(25)242220(1454617(14)3122)21(28)23151113(292)7816(15)303h781112H46910H213H3(H2328)(H2425)(H2627)
MFCD06023328
ZINC000019644659
ZINC000019644662
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