Vitas-M small molecule compound

2-{[({5,6-dimethyl-3-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Catalog ID
STK438934
SMILES O=C(Nc1sc2c(c1C(=O)N)CCC2)CSc1nc2sc(c(c2c(=O)n1CCCN1CCOCC1)C)C

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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 C25H31N5O4S3 MW 561.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O4S3/c1-14-15(2)36-22-19(14)24(33)30(8-4-7-29-9-11-34-12-10-29)25(28-22)35-13-18(31)27-23-20(21(26)32)16-5-3-6-17(16)37-23/h3-13H2,1-2H3,(H2,26,32)(H,27,31)
InChIKey
ZUYBNPBNYGEATG-UHFFFAOYSA-N
Synonyms

2((((56dimethyl3(3(morpholin4yl)propyl)4oxo34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxamide
2((2(56DIMETHYL3(3MORPHOLIN4YLPROPYL)4OXOTHIENO(23D)PYRIMIDIN2YL)SULFANYLACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXAMIDE
2(2(56DIMETHYL3(3MORPHOLIN4YLPROPYL)4OXO3HYDROTHIOPHENO(23D)PYRIMIDIN2YLTHIO)ACETYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXAMIDE
CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N)CCCN5CCOCC5)C
InChI=1SC25H31N5O4S3c11415(2)362219(14)24(33)30(8472991134121029)25(2822)351318(31)272320(21(26)32)1653617(16)3723h313H212H3(H22632)(H2731)
MFCD03945772
ZINC000097948295
ZINC97948295

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.