Vitas-M small molecule compound
N-(4-bromophenyl)-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Catalog ID
STK543519
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)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 C27H19BrN6OS2 MW 587.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrN6OS2/c28-16-9-11-17(12-10-16)30-20(35)13-36-27-33-32-25-24-23(29-14-34(25)27)21-18-7-4-8-19(18)22(31-26(21)37-24)15-5-2-1-3-6-15/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,30,35)InChIKey
AADDVXUCBYJWQQ-UHFFFAOYSA-NSynonyms
C1CC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)NC6=CC=C(C=C6)Br)SC3=NC(=C2C1)C7=CC=CC=C7
InChI=1SC27H19BrN6OS2c281691117(121016)3020(35)1336273332252423(291434(25)27)211874819(18)22(3126(21)3724)155213615h135691214H47813H2(H3035)
MFCD03297675
N(4bromophenyl)2((10phenyl89dihydro7Hcyclopenta(45)pyrido(3245)thieno(23e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetamide
N(4bromophenyl)2((10phenyl89dihydro7Hcyclopenta(45)pyrido(3245)thieno(23e)(124)triazolo(43c)pyrimidin3yl)thio)acetamide
ZINC000053291988
ZINC53291988
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