Vitas-M small molecule compound
1-(benzylsulfanyl)-4-(3-chlorophenyl)-7,7-dimethyl-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
STK720453
SMILES Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2SCc1ccccc1
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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 C25H21ClN4O2S2 MW 509.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O2S2/c1-25(2)12-18-19(13-32-25)34-22-20(18)21(31)29(17-10-6-9-16(26)11-17)23-27-28-24(30(22)23)33-14-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3InChIKey
KWWBWEPGCGMGBG-UHFFFAOYSA-NSynonyms
575471-22-61(benzylsulfanyl)4(3chlorophenyl)77dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)4(3chlorophenyl)77dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
575471226
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5)C6=CC(=CC=C6)Cl)C
InChI=1SC25H21ClN4O2S2c125(2)121819(133225)342220(18)21(31)29(17106916(26)1117)23272824(30(22)23)3314157435815h311H1214H212H3
MFCD04026416
ZINC000002376200
ZINC02376200
ZINC2376200
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