Vitas-M small molecule compound
3-({3-[(2,5-dimethoxyphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}carbamoyl)-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK464382
SMILES COc1ccc(c(c1)NC(=O)c1c(NC(=O)C2C(C(=O)O)C3C(=C(C)C)C2CC3)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 C28H32N2O6S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O6S/c1-13(2)21-16-9-10-17(21)23(28(33)34)22(16)25(31)30-27-24(15-6-5-7-20(15)37-27)26(32)29-18-12-14(35-3)8-11-19(18)36-4/h8,11-12,16-17,22-23H,5-7,9-10H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)InChIKey
LBQHYRHORRSSIP-UHFFFAOYSA-NSynonyms
2((3((25dimethoxyphenyl)carbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)7propan2ylidenebicyclo(221)heptane3carboxylicacid
3((3((25dimethoxyphenyl)carbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
3(N(3(N(25DIMETHOXYPHENYL)CARBAMOYL)(456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL))CARBAMOYL)7(METHYLETHYLIDENE)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC(=C1C2CCC1C(C2C(=O)NC3=C(C4=C(S3)CCC4)C(=O)NC5=C(C=CC(=C5)OC)OC)C(=O)O)C
InChI=1SC28H32N2O6Sc113(2)211691017(21)23(28(33)34)22(16)25(31)302724(1565720(15)3727)26(32)29181214(353)81119(18)364h8111216172223H57910H214H3(H2932)(H3031)(H3334)
MFCD06023330
ZINC000102324623
ZINC000102658107
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.