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-methoxyphenyl)acetamide
Catalog ID
STK555642
SMILES COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
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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 C27H24ClN5O3S2 MW 566.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O3S2/c1-15-3-12-21-20(13-15)23-24(35)32(18-8-4-16(28)5-9-18)26-30-31-27(33(26)25(23)38-21)37-14-22(34)29-17-6-10-19(36-2)11-7-17/h4-11,15H,3,12-14H2,1-2H3,(H,29,34)InChIKey
PJONTIYPZSHDHW-UHFFFAOYSA-NSynonyms
2((4(4chlorophenyl)7methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4methoxyphenyl)acetamide
2((4(4chlorophenyl)7methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(4methoxyphenyl)acetamide
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)NC5=CC=C(C=C5)OC)N(C3=O)C6=CC=C(C=C6)Cl
InChI=1SC27H24ClN5O3S2c1153122120(1315)2324(35)32(188416(28)5918)26303127(33(26)25(23)3821)371422(34)291761019(362)11717h41115H31214H212H3(H2934)
MFCD04012586
ZINC000001271179
ZINC000001271180
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