Vitas-M small molecule compound
methyl {[5-(3,5-dimethyl-1H-pyrazol-1-yl)-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
STK629891
SMILES COC(=O)CSc1nnc2n1c(nc1c2c2CC(C)(C)OCc2s1)n1nc(cc1C)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 C20H22N6O3S2 MW 458.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O3S2/c1-10-6-11(2)26(24-10)18-21-17-15(12-7-20(3,4)29-8-13(12)31-17)16-22-23-19(25(16)18)30-9-14(27)28-5/h6H,7-9H2,1-5H3InChIKey
SIJCKKFBAXSRGD-UHFFFAOYSA-NSynonyms
850737-30-3850737303
CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C5=NN=C(N52)SCC(=O)OC)C
InChI=1SC20H22N6O3S2c110611(2)26(2410)18211715(12720(34)29813(12)3117)16222319(25(16)18)30914(27)285h6H79H215H3
methyl((5(35dimethyl1Hpyrazol1yl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
methyl2((5(35dimethyl1Hpyrazol1yl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
MFCD05693390
ZINC000002402574
ZINC02402574
ZINC2402574
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