Vitas-M small molecule compound
2,2'-[(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:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]bis[1-(4-chlorophenyl)ethanone]
Catalog ID
STK937079
SMILES CCC1(C)OCc2c(C1)c1c3nnc(n3c3n(c1s2)c(SCC(=O)c1ccc(cc1)Cl)nn3)SCC(=O)c1ccc(cc1)Cl
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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 C30H24Cl2N6O3S3 MW 683.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24Cl2N6O3S3/c1-3-30(2)12-20-23(13-41-30)44-26-24(20)25-33-35-28(42-14-21(39)16-4-8-18(31)9-5-16)37(25)27-34-36-29(38(26)27)43-15-22(40)17-6-10-19(32)11-7-17/h4-11H,3,12-15H2,1-2H3InChIKey
XMXJFIHUIRDCLQ-UHFFFAOYSA-NSynonyms
22((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine37diyl)bis(sulfanediyl))bis(1(4chlorophenyl)ethanone)
22((12ethyl12methyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a43c)pyrimidine37diyl)disulfanediyl)bis(1(4chlorophenyl)ethanone)
CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)C6=CC=C(C=C6)Cl)SCC(=O)C7=CC=C(C=C7)Cl)C
InChI=1SC30H24Cl2N6O3S3c1330(2)122023(134130)442624(20)25333528(421421(39)164818(31)9516)37(25)27343629(38(26)27)431522(40)1761019(32)11717h411H31215H212H3
MFCD03295924
ZINC000150407269
ZINC000150407272
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