Vitas-M small molecule compound
2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL313319
SMILES O=C(N1CCCC1)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)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 C22H27N5O2S2 MW 457.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O2S2/c1-13-9-14(2)27(25-13)21-23-19(30-12-17(28)26-7-5-6-8-26)18-15-10-22(3,4)29-11-16(15)31-20(18)24-21/h9H,5-8,10-12H2,1-4H3InChIKey
IIURVJIPGODTSA-UHFFFAOYSA-NSynonyms
850750-65-12((2(35dimethyl1Hpyrazol1yl)66dimethyl58dihydro6Hpyrano(4345)thieno(23d)pyrimidin4yl)sulfanyl)1(pyrrolidin1yl)ethanone
2((2(35dimethyl1Hpyrazol1yl)66dimethyl68dihydro5Hpyrano(4345)thieno(23d)pyrimidin4yl)thio)1(pyrrolidin1yl)ethanone
2((2(35dimethylpyrazol1yl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4yl)sulfanyl)1pyrrolidin1ylethanone
850750651
CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)N5CCCC5)C
InChI=1SC22H27N5O2S2c113914(2)27(2513)212319(301217(28)26756826)18151022(34)291116(15)3120(18)2421h9H581012H214H3
MFCD05694695
ZINC000002423095
ZINC02423095
ZINC2423095
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