Vitas-M small molecule compound
({5-[(3-cyclohexyl-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Catalog ID
STL278627
SMILES OC(=O)CSc1nnc(n1C)Cn1c2CCCc2c(=O)n(c1=O)C1CCCCC1
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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 C19H25N5O4S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O4S/c1-22-15(20-21-18(22)29-11-16(25)26)10-23-14-9-5-8-13(14)17(27)24(19(23)28)12-6-3-2-4-7-12/h12H,2-11H2,1H3,(H,25,26)InChIKey
RSNHDCBKONDLSU-UHFFFAOYSA-NSynonyms
((5((3cyclohexyl24dioxo234567hexahydro1Hcyclopenta(d)pyrimidin1yl)methyl)4methyl4H124triazol3yl)sulfanyl)aceticacid
2((5((3cyclohexyl24dioxo67dihydro5Hcyclopenta(d)pyrimidin1yl)methyl)4methyl124triazol3yl)sulfanyl)aceticacid
CN1C(=NN=C1SCC(=O)O)CN2C3=C(CCC3)C(=O)N(C2=O)C4CCCCC4
InChI=1SC19H25N5O4Sc12215(202118(22)291116(25)26)10231495813(14)17(27)24(19(23)28)126324712h12H211H21H3(H2526)
MFCD20263621
ZINC000035682647
ZINC35682647
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