Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]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
STL042367
SMILES Brc1ccc(cc1)C(=O)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 C26H21BrN4O3S2 MW 581.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4O3S2/c1-26(2)12-18-20(13-34-26)36-23-21(18)22(33)30(17-6-4-3-5-7-17)24-28-29-25(31(23)24)35-14-19(32)15-8-10-16(27)11-9-15/h3-11H,12-14H2,1-2H3InChIKey
SPIZDCINPLEZMP-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)77dimethyl4phenyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)77dimethyl4phenyl67dihydro4Hpyrano(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)C6=CC=CC=C6)C
InChI=1SC26H21BrN4O3S2c126(2)121820(133426)362321(18)22(33)30(176435717)24282925(31(23)24)351419(32)1581016(27)11915h311H1214H212H3
MFCD01557519
ZINC000001815423
ZINC01815423
ZINC1815423
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