Vitas-M small molecule compound
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-triazole-3-thiolate
Catalog ID
STL031936
SMILES [S-]c1nnc(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 C18H15N6S3 MW 411.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6S3/c19-15-14-11-7-4-8-12(11)27-16(14)21-17(20-15)26-9-13-22-23-18(25)24(13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,23,25)(H2,19,20,21)/p-1InChIKey
BZIGZGFENAUZLN-UHFFFAOYSA-MSynonyms
(S)c1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1
(S)c1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1(K+)
5(((4amino67dihydro5Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)methyl)4phenyl4H124triazole3thiolate
5((1amino78dihydro6Hcyclopenta(45)thieno(12c)pyrimidin3yl)sulfanylmethyl)4phenyl124triazole3thiolate
5((4AMINO(567TRIHYDROCYCLOPENTA(12D)PYRIMIDINO(45B)THIOPHEN2YLTHIO))METHYL)4PHENYL124TRIAZOLE3THIOL
C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCC4=NN=C(N4C5=CC=CC=C5)(S)
InChI=1SC18H16N6S3c1915141174812(11)2716(14)2117(2015)26913222318(25)24(13)105213610h1356H479H2(H2325)(H2192021)p1
potassium5(((4amino67dihydro5Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)methyl)4phenyl4H124triazole3thiolate
ZINC000011990771
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