Vitas-M small molecule compound
methyl {[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}acetate
Catalog ID
STK829799
SMILES COC(=O)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 C22H22N4O3S3 MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S3/c1-22(2)9-14-15(10-29-22)32-19-17(14)18-24-25-21(31-12-16(27)28-3)26(18)20(23-19)30-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3InChIKey
NFXRTYBLQKNSPM-UHFFFAOYSA-NSynonyms
585561-30-4585561304
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)OC)C
InChI=1SC22H22N4O3S3c122(2)91415(102922)321917(14)18242521(311216(27)283)26(18)20(2319)3011137546813h48H912H213H3
methyl((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
methyl2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
MFCD04030349
ZINC000002392521
ZINC02392521
ZINC2392521
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