Vitas-M small molecule compound
ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK609201
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCSc1nc(O)c2c(n1)sc1c2CCCC1
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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 C22H23N3O4S2 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S2/c1-2-29-21(28)13-7-9-14(10-8-13)23-17(26)11-12-30-22-24-19(27)18-15-5-3-4-6-16(15)31-20(18)25-22/h7-10H,2-6,11-12H2,1H3,(H,23,26)(H,24,25,27)InChIKey
JOZPODCLMVTDOG-UHFFFAOYSA-NSynonyms
497082-10-7CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
ethyl4((3((4hydroxy5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)propanoyl)amino)benzoate
ethyl4(3((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)propanoylamino)benzoate
InChI=1SC22H23N3O4S2c122921(28)137914(10813)2317(26)111230222419(27)1815534616(15)3120(18)2522h710H261112H21H3(H2326)(H242527)
MFCD09791771
ZINC000002256351
ZINC02256351
ZINC2256351
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