Vitas-M small molecule compound
2-[(12,12-dimethyl-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]-1-(piperidin-1-yl)ethanone
Catalog ID
STL236955
SMILES O=C(N1CCCCC1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)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 C20H23N7O2S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O2S2/c1-20(2)8-12-13(9-29-20)31-17-15(12)16-21-11-22-27(16)18-23-24-19(26(17)18)30-10-14(28)25-6-4-3-5-7-25/h11H,3-10H2,1-2H3InChIKey
IXSQSOBUQBYJAW-UHFFFAOYSA-NSynonyms
861115-48-22((1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)1(piperidin1yl)ethanone
2((1212dimethyl1213dihydro10Hpyrano(4345)thieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)1(piperidin1yl)ethanone
861115482
CC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=O)N6CCCCC6)C
InChI=1SC20H23N7O2S2c120(2)81213(92920)311715(12)1621112227(16)18232419(26(17)18)301014(28)256435725h11H310H212H3
MFCD05682748
ZINC000009307432
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