Vitas-M small molecule compound
ethyl [(5-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Catalog ID
STL079715
SMILES CCOC(=O)CSc1nnc(n1c1ccccc1)CSc1[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 C22H21N5O3S3 MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S3/c1-2-30-17(28)12-32-22-26-25-16(27(22)13-7-4-3-5-8-13)11-31-21-23-19(29)18-14-9-6-10-15(14)33-20(18)24-21/h3-5,7-8H,2,6,9-12H2,1H3,(H,23,24,29)InChIKey
IBRXQBASBACWHY-UHFFFAOYSA-NSynonyms
308298-13-7308298137
CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3
CCOC(=O)CSc1nnc(n1c1ccccc1)CSc1(nH)c(=O)c2c(n1)sc1c2CCC1
ethyl((5(((4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetate
ethyl2((5((1oxo2678tetrahydrocyclopenta(23)thieno(24b)pyrimidin3yl)sulfanylmethyl)4phenyl124triazol3yl)sulfanyl)acetate
InChI=1SC22H21N5O3S3c123017(28)123222262516(27(22)137435813)1131212319(29)1814961015(14)3320(18)2421h3578H26912H21H3(H232429)
MFCD02222183
ZINC000008670884
ZINC08670884
ZINC8670884
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