Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-4-cyclohexyl-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
STK720468
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 C25H27BrN4O2S2 MW 559.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN4O2S2/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/h8-11,17H,3-7,12-14H2,1-2H3InChIKey
TUQUZOWZHFVAQU-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4cyclohexyl77dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4bromobenzyl)thio)4cyclohexyl77dimethyl67dihydro4Hpyrano(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)C6CCCCC6)C
InChI=1SC25H27BrN4O2S2c125(2)121819(133225)342220(18)21(31)29(176435717)23272824(30(22)23)33141581016(26)11915h81117H371214H212H3
MFCD04005418
ZINC000001875644
ZINC01875644
ZINC1875644
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