Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STK555632
SMILES CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3cccc(c3)C)nnc2n(c1=O)c1ccc(cc1)Cl
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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 C27H24ClN5O2S2 MW 550.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O2S2/c1-15-4-3-5-18(12-15)29-22(34)14-36-27-31-30-26-32(19-9-7-17(28)8-10-19)24(35)23-20-13-16(2)6-11-21(20)37-25(23)33(26)27/h3-5,7-10,12,16H,6,11,13-14H2,1-2H3,(H,29,34)InChIKey
XVDHZSAPWJWGLK-UHFFFAOYSA-NSynonyms
842966-12-52((4(4chlorophenyl)7methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(3methylphenyl)acetamide
2((4(4chlorophenyl)7methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(mtolyl)acetamide
842966125
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)NC5=CC=CC(=C5)C)N(C3=O)C6=CC=C(C=C6)Cl
InChI=1SC27H24ClN5O2S2c11543518(1215)2922(34)14362731302632(199717(28)81019)24(35)23201316(2)61121(20)3725(23)33(26)27h357101216H6111314H212H3(H2934)
MFCD04012540
ZINC000002403911
ZINC000002403912
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