Vitas-M small molecule compound
N-(4-bromophenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Catalog ID
STK549446
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3
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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 C25H20BrN5O2S2 MW 566.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN5O2S2/c26-15-10-12-16(13-11-15)27-20(32)14-34-25-29-28-24-30(17-6-2-1-3-7-17)22(33)21-18-8-4-5-9-19(18)35-23(21)31(24)25/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,27,32)InChIKey
YBKHMUSQOJDSDB-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)NC5=CC=C(C=C5)Br)N(C3=O)C6=CC=CC=C6
InChI=1SC25H20BrN5O2S2c2615101216(131115)2720(32)14342529282430(176213717)22(33)2118845919(18)3523(21)31(24)25h13671013H458914H2(H2732)
MFCD03679036
N(4bromophenyl)2((5oxo4phenyl456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4bromophenyl)2((5oxo4phenyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000102453311
ZINC102453311
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