Vitas-M small molecule compound
2-{[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
Catalog ID
STL240620
SMILES O=C(N1CCCCC1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1
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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 C25H31N5O2S2 MW 497.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S2/c1-25(2)12-16-17(13-32-25)22(30-10-6-7-11-30)28-23-19(16)20-21(34-23)24(27-15-26-20)33-14-18(31)29-8-4-3-5-9-29/h15H,3-14H2,1-2H3InChIKey
DBEFTLIUHYRUEA-UHFFFAOYSA-NSynonyms
799807-84-42((22dimethyl5(pyrrolidin1yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)1(piperidin1yl)ethanone
2((22dimethyl5(pyrrolidin1yl)24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)1(piperidin1yl)ethanone
799807844
CC1(CC2=C3C4=C(C(=NC=N4)SCC(=O)N5CCCCC5)SC3=NC(=C2CO1)N6CCCC6)C
InChI=1SC25H31N5O2S2c125(2)121617(133225)22(3010671130)282319(16)2021(3423)24(27152620)331418(31)298435929h15H314H212H3
MFCD03679617
ZINC000020189305
ZINC20189305
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