Vitas-M small molecule compound
2-{[10,10-dimethyl-5-(propan-2-ylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STK621793
SMILES CC(Sc1nc2sc3c(c2c2n1c(SCC(=O)N1CCCC1)nn2)CC(OC3)(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 C21H27N5O2S3 MW 477.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2S3/c1-12(2)30-19-22-18-16(13-9-21(3,4)28-10-14(13)31-18)17-23-24-20(26(17)19)29-11-15(27)25-7-5-6-8-25/h12H,5-11H2,1-4H3InChIKey
KOEXGIKBUBYUBL-UHFFFAOYSA-NSynonyms
850902-29-32((1010dimethyl5(propan2ylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1(pyrrolidin1yl)ethanone
2((5(isopropylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1(pyrrolidin1yl)ethanone
850902293
CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC(=O)N5CCCC5
InChI=1SC21H27N5O2S3c112(2)3019221816(13921(34)281014(13)3118)17232420(26(17)19)291115(27)25756825h12H511H214H3
MFCD05696090
ZINC000009291713
ZINC09291713
ZINC9291713
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