Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-4-(2-phenylethyl)-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
STK542765
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)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 C28H25BrN4O3S2 MW 609.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN4O3S2/c1-28(2)14-20-22(15-36-28)38-25-23(20)24(35)32(13-12-17-6-4-3-5-7-17)26-30-31-27(33(25)26)37-16-21(34)18-8-10-19(29)11-9-18/h3-11H,12-16H2,1-2H3InChIKey
GPTLNNIOYWMOQT-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)77dimethyl4(2phenylethyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)77dimethyl4phenethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Br)CCC6=CC=CC=C6)C
InChI=1SC28H25BrN4O3S2c128(2)142022(153628)382523(20)24(35)32(1312176435717)26303127(33(25)26)371621(34)1881019(29)11918h311H1216H212H3
MFCD03192508
ZINC000101065155
ZINC101065155
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