Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-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
STK283381
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)C(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 C27H23BrN4O3S2 MW 595.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN4O3S2/c1-15(2)21-12-19-22(13-35-21)37-25-23(19)24(34)31(18-6-4-3-5-7-18)26-29-30-27(32(25)26)36-14-20(33)16-8-10-17(28)11-9-16/h3-11,15,21H,12-14H2,1-2H3InChIKey
XBGIMXYDNUINCW-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4phenyl7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)7isopropyl4phenyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Br)C6=CC=CC=C6
InChI=1SC27H23BrN4O3S2c115(2)21121922(133521)372523(19)24(34)31(186435718)26293027(32(25)26)361420(33)1681017(28)11916h3111521H1214H212H3
MFCD02986108
ZINC000001826273
ZINC000001826274
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