Vitas-M small molecule compound
4-phenyl-7-(propan-2-yl)-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
STK532548
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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 C22H22N4O2S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S2/c1-4-10-29-22-24-23-21-25(14-8-6-5-7-9-14)19(27)18-15-11-16(13(2)3)28-12-17(15)30-20(18)26(21)22/h4-9,13,16H,1,10-12H2,2-3H3InChIKey
ZGRLVTNPFQUDGV-UHFFFAOYSA-NSynonyms
1(allylthio)7isopropyl4phenyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
4phenyl7(propan2yl)1(prop2en1ylsulfanyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC=C)C5=CC=CC=C5
InChI=1SC22H22N4O2S2c1410292224232125(148657914)19(27)18151116(13(2)3)281217(15)3020(18)26(21)22h491316H11012H223H3
MFCD02996127
ZINC000002304723
ZINC000002304724
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