Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Catalog ID
STK720341
SMILES O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
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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 C27H24ClN5O2S3 MW 582.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O2S3/c1-27(2)12-19-20(13-35-27)38-24-22(19)23-31-32-26(37-15-21(34)29-18-10-8-17(28)9-11-18)33(23)25(30-24)36-14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,29,34)InChIKey
HTDBXKJPSGWDQZ-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(4chlorophenyl)acetamide
2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(4chlorophenyl)acetamide
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)NC6=CC=C(C=C6)Cl)C
InChI=1SC27H24ClN5O2S3c127(2)121920(133527)382422(19)23313226(371521(34)291810817(28)91118)33(23)25(3024)3614166435716h311H1215H212H3(H2934)
MFCD04030019
ZINC000002594064
ZINC2594064
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