Vitas-M small molecule compound
ethyl 4-({4-[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoyl}amino)benzoate
Catalog ID
STL000421
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCCSc1[nH]c(=O)c2c(n1)sc1c2CCC1
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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)13-8-10-14(11-9-13)23-17(26)7-4-12-30-22-24-19(27)18-15-5-3-6-16(15)31-20(18)25-22/h8-11H,2-7,12H2,1H3,(H,23,26)(H,24,25,27)InChIKey
CKRPXJFZZVTMME-UHFFFAOYSA-NSynonyms
496028-91-2496028912
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2
CCOC(=O)c1ccc(cc1)NC(=O)CCCSc1(nH)c(=O)c2c(n1)sc1c2CCC1
ethyl4((4((4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)butanoyl)amino)benzoate
ethyl4(4((1oxo2678tetrahydrocyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)butanoylamino)benzoate
ethyl4(4((4oxo4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)butanamido)benzoate
InChI=1SC22H23N3O4S2c122921(28)1381014(11913)2317(26)741230222419(27)181553616(15)3120(18)2522h811H2712H21H3(H2326)(H242527)
MFCD03650865
ZINC000016944358
ZINC16944358
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