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-(4-methylphenyl)acetamide
Catalog ID
STK558384
SMILES CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)c(SCC(=O)Nc1ccc(cc1)C)nn3
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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/c1-15-3-8-18(9-4-15)29-22(34)14-36-27-31-30-26-32(19-10-6-17(28)7-11-19)24(35)23-20-13-16(2)5-12-21(20)37-25(23)33(26)27/h3-4,6-11,16H,5,12-14H2,1-2H3,(H,29,34)InChIKey
DUAWRYWTTFXVPD-UHFFFAOYSA-NSynonyms
578736-40-02((4(4chlorophenyl)7methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4methylphenyl)acetamide
2((4(4chlorophenyl)7methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(ptolyl)acetamide
578736400
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)NC5=CC=C(C=C5)C)N(C3=O)C6=CC=C(C=C6)Cl
InChI=1SC27H24ClN5O2S2c1153818(9415)2922(34)14362731302632(1910617(28)71119)24(35)23201316(2)51221(20)3725(23)33(26)27h3461116H51214H212H3(H2934)
MFCD04031829
ZINC000002394810
ZINC000002394811
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