Vitas-M small molecule compound
2-[(12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Catalog ID
STL226934
SMILES CCC1(C)OCc2c(C1)c1c(s2)n2c(SCC(=O)NCc3ccco3)nnc2n2c1ncn2
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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 C21H21N7O3S2 MW 483.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7O3S2/c1-3-21(2)7-13-14(9-31-21)33-18-16(13)17-23-11-24-28(17)19-25-26-20(27(18)19)32-10-15(29)22-8-12-5-4-6-30-12/h4-6,11H,3,7-10H2,1-2H3,(H,22,29)InChIKey
JJWASDPPNKOMHC-UHFFFAOYSA-NSynonyms
861635-38-32((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)N(furan2ylmethyl)acetamide
2((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)N(furan2ylmethyl)acetamide
861635383
CCC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=O)NCC6=CC=CO6)C
InChI=1SC21H21N7O3S2c1321(2)71314(93121)331816(13)1723112428(17)19252620(27(18)19)321015(29)228125463012h4611H3710H212H3(H2229)
MFCD05685311
ZINC000004295963
ZINC000004295965
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