Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-7,7-dimethyl-4-phenyl-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
STK720461
SMILES Brc1ccc(cc1)CSc1nnc2n1c1sc3c(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 C25H21BrN4O2S2 MW 553.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN4O2S2/c1-25(2)12-18-19(13-32-25)34-22-20(18)21(31)29(17-6-4-3-5-7-17)23-27-28-24(30(22)23)33-14-15-8-10-16(26)11-9-15/h3-11H,12-14H2,1-2H3InChIKey
CGRVGKDXTKPPIK-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)77dimethyl4phenyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4bromobenzyl)thio)77dimethyl4phenyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=C(C=C5)Br)C6=CC=CC=C6)C
InChI=1SC25H21BrN4O2S2c125(2)121819(133225)342220(18)21(31)29(176435717)23272824(30(22)23)33141581016(26)11915h311H1214H212H3
MFCD03688531
ZINC000098000184
ZINC98000184
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