Vitas-M small molecule compound
7,7-dimethyl-4-phenyl-1-(prop-2-en-1-ylsulfanyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK700806
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(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 C21H20N4O2S2 MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S2/c1-4-10-28-20-23-22-19-24(13-8-6-5-7-9-13)17(26)16-14-11-21(2,3)27-12-15(14)29-18(16)25(19)20/h4-9H,1,10-12H2,2-3H3InChIKey
XNUDTFJKIWXNMV-UHFFFAOYSA-NSynonyms
1(allylthio)77dimethyl4phenyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
77dimethyl4phenyl1(prop2en1ylsulfanyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC=C)C5=CC=CC=C5)C
InChI=1SC21H20N4O2S2c1410282023221924(138657913)17(26)16141121(23)271215(14)2918(16)25(19)20h49H11012H223H3
MFCD01088479
ZINC000002273942
ZINC02273942
ZINC2273942
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