Vitas-M small molecule compound
4-(3-methylphenyl)-1-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-7-(propan-2-yl)-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
STK549358
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SC/C=C/c3ccccc3)nnc2n(c1=O)c1cccc(c1)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 C29H28N4O2S2 MW 528.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2S2/c1-18(2)23-16-22-24(17-35-23)37-27-25(22)26(34)32(21-13-7-9-19(3)15-21)28-30-31-29(33(27)28)36-14-8-12-20-10-5-4-6-11-20/h4-13,15,18,23H,14,16-17H2,1-3H3/b12-8+InChIKey
OAJASHMUXNWCEF-XYOKQWHBSA-NSynonyms
799832-84-11(cinnamylthio)7isopropyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
4(3methylphenyl)1(((2E)3phenylprop2en1yl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
799832841
CC(C1OCc2c(C1)c1c(s2)n2c(SCC=Cc3ccccc3)nnc2n(c1=O)c1cccc(c1)C)C
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=CC5=CC=CC=C5)SC6=C3CC(OC6)C(C)C
InChI=1SC29H28N4O2S2c118(2)23162224(173523)372725(22)26(34)32(21137919(3)1521)28303129(33(27)28)361481220105461120h413151823H141617H213H3b128+
MFCD03684642
ZINC000002246272
ZINC000002246274
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