Vitas-M small molecule compound
5-{[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}pentan-2-one
Catalog ID
STL238445
SMILES CC(=O)CCCSc1nnc2n1c(SC(C)C)nc1c2c2CC(C)(C)OCc2s1
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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 C20H26N4O2S3 MW 450.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2S3/c1-11(2)28-18-21-17-15(13-9-20(4,5)26-10-14(13)29-17)16-22-23-19(24(16)18)27-8-6-7-12(3)25/h11H,6-10H2,1-5H3InChIKey
BEZWNVMLSJJDMX-UHFFFAOYSA-NSynonyms
877808-20-35((1010dimethyl5(propan2ylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)pentan2one
5((5(isopropylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)pentan2one
877808203
CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCCCC(=O)C
InChI=1SC20H26N4O2S3c111(2)2818211715(13920(45)261014(13)2917)16222319(24(16)18)2786712(3)25h11H610H215H3
MFCD05705842
ZINC000009346414
ZINC09346414
ZINC9346414
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