Vitas-M small molecule compound
N-(4-bromophenyl)-2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Catalog ID
STK829814
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c(C)nc1c2c2CCCCc2s1
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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 C20H18BrN5OS2 MW 488.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5OS2/c1-11-22-19-17(14-4-2-3-5-15(14)29-19)18-24-25-20(26(11)18)28-10-16(27)23-13-8-6-12(21)7-9-13/h6-9H,2-5,10H2,1H3,(H,23,27)InChIKey
SMZMNGKUCUPHSO-UHFFFAOYSA-NSynonyms
488119-45-5488119455
CC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N14)SCC(=O)NC5=CC=C(C=C5)Br
InChI=1SC20H18BrN5OS2c111221917(14423515(14)2919)18242520(26(11)18)281016(27)23138612(21)7913h69H2510H21H3(H2327)
MFCD03289288
N(4bromophenyl)2((5methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetamide
N(4bromophenyl)2((5methyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetamide
ZINC000001128792
ZINC01128792
ZINC1128792
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