Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-methyl-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK840269
SMILES COc1ccc(cc1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2C)C(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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-11(2)16-9-15-17(10-28-16)29-20-18(15)19(26)25(21-23-22-12(3)24(20)21)13-5-7-14(27-4)8-6-13/h5-8,11,16H,9-10H2,1-4H3InChIKey
HNASEONELFJYMJ-UHFFFAOYSA-NSynonyms
371119-12-9371119129
4(4methoxyphenyl)1methyl7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7isopropyl4(4methoxyphenyl)1methyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=NN=C2N1C3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC21H22N4O3Sc111(2)1691517(102816)292018(15)19(26)25(21232212(3)24(20)21)135714(274)8613h581116H910H214H3
MFCD03007723
ZINC000001128323
ZINC000001128325
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