Vitas-M small molecule compound
methyl 2-[({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK111548
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)Cn2nc(c(c2C)Cl)C)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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c1-12-19(23)13(2)26(25-12)11-14-6-4-7-15(10-14)20(27)24-21-18(22(28)29-3)16-8-5-9-17(16)30-21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,24,27)InChIKey
XKKCZTGQSHDFKE-UHFFFAOYSA-NSynonyms
494218-56-3494218563
CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)C)Cl
InChI=1SC22H22ClN3O3Sc11219(23)13(2)26(2512)111464715(1014)20(27)242118(22(28)293)1685917(16)3021h46710H58911H213H3(H2427)
METHYL2(((3((4CHLORO35DIMETHYL1HPYRAZOL1YL)METHYL)PHENYL)CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((3((4CHLORO35DIMETHYL1HPYRAZOL1YL)METHYL)BENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((3((4CHLORO35DIMETHYLPYRAZOL1YL)METHYL)BENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD02374133
ZINC000001142573
ZINC01142573
ZINC1142573
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