Vitas-M small molecule compound

ethyl 4-[(5-{[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate

Catalog ID
STK556382
SMILES CCOC(=O)CCCSc1nnc(n1c1ccccc1)CSc1nc(N)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 C24H26N6O2S3 MW 526.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O2S3/c1-2-32-19(31)12-7-13-33-24-29-28-18(30(24)15-8-4-3-5-9-15)14-34-23-26-21(25)20-16-10-6-11-17(16)35-22(20)27-23/h3-5,8-9H,2,6-7,10-14H2,1H3,(H2,25,26,27)
InChIKey
HZADXJQGWXIVCZ-UHFFFAOYSA-N
Synonyms
573695-10-0
573695100
CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C4C5=C(CCC5)SC4=N3)N
ethyl4((5(((4amino67dihydro5Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)butanoate
ETHYL4((5(((4AMINO67DIHYDRO5HCYCLOPENTA(45)THIENO(23D)PYRIMIDIN2YL)THIO)METHYL)4PHENYL4H124TRIAZOL3YL)THIO)BUTANOATE
ethyl4((5((1amino78dihydro6Hcyclopenta(45)thieno(12c)pyrimidin3yl)sulfanylmethyl)4phenyl124triazol3yl)sulfanyl)butanoate
ETHYL4(5((4AMINO(567TRIHYDROCYCLOPENTA(12D)PYRIMIDINO(45B)THIOPHEN2YLTHIO))METHYL)4PHENYL124TRIAZOL3YLTHIO)BUTANOATE
InChI=1SC24H26N6O2S3c123219(31)127133324292818(30(24)158435915)1434232621(25)20161061117(16)3522(20)2723h3589H2671014H21H3(H2252627)
MFCD04017608
ZINC000002366637
ZINC2366637

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Available files

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