Vitas-M small molecule compound
4-(3-methylphenyl)-7-(propan-2-yl)-1-thioxo-2,4,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Catalog ID
STL044901
SMILES CC(C1OCc2c(C1)c1c(=O)n(c3cccc(c3)C)c3n(c1s2)c(=S)[nH]n3)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 C20H20N4O2S2 MW 412.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S2/c1-10(2)14-8-13-15(9-26-14)28-18-16(13)17(25)23(12-6-4-5-11(3)7-12)19-21-22-20(27)24(18)19/h4-7,10,14H,8-9H2,1-3H3,(H,22,27)InChIKey
SXLLQGLOYZFRNE-UHFFFAOYSA-NSynonyms
383902-71-4383902714
4(3methylphenyl)7(propan2yl)1thioxo2469tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(1H)one
CC(C1OCc2c(C1)c1c(=O)n(c3cccc(c3)C)c3n(c1s2)c(=S)(nH)n3)C
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CC(OC5)C(C)C
InChI=1SC20H20N4O2S2c110(2)1481315(92614)281816(13)17(25)23(1264511(3)712)19212220(27)24(18)19h471014H89H213H3(H2227)
MFCD03796235
ZINC000002317417
ZINC000002317418
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