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-(2-phenylethyl)acetamide
Catalog ID
STK720346
SMILES O=C(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1)NCCc1ccccc1
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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 C29H29N5O2S3 MW 575.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O2S3/c1-29(2)15-21-22(16-36-29)39-26-24(21)25-32-33-28(34(25)27(31-26)37-17-20-11-7-4-8-12-20)38-18-23(35)30-14-13-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3,(H,30,35)InChIKey
SDHJZKYYBUKJKJ-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(2phenylethyl)acetamide
2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)Nphenethylacetamide
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)NCCC6=CC=CC=C6)C
InChI=1SC29H29N5O2S3c129(2)152122(163629)392624(21)25323328(34(25)27(3126)371720117481220)381823(35)3014131995361019h312H1318H212H3(H3035)
MFCD04032193
ZINC000001894676
ZINC01894676
ZINC1894676
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