Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Catalog ID
STL035098
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c(SCc1ccccc1)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 C26H22BrN5OS3 MW 596.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN5OS3/c27-17-10-12-18(13-11-17)28-21(33)15-35-26-31-30-23-22-19-8-4-5-9-20(19)36-24(22)29-25(32(23)26)34-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,28,33)InChIKey
XXZKTSPVDHEXFV-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(4bromophenyl)acetamide
2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(4bromophenyl)acetamide
C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC(=O)NC5=CC=C(C=C5)Br)SCC6=CC=CC=C6
InChI=1SC26H22BrN5OS3c2717101218(131117)2821(33)1535263130232219845920(19)3624(22)2925(32(23)26)3414166213716h13671013H45891415H2(H2833)
MFCD04080373
ZINC000002595223
ZINC2595223
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