Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-4-(2-methylphenyl)-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
STK532512
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)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 C27H23BrN4O3S2 MW 595.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN4O3S2/c1-15-6-4-5-7-19(15)31-23(34)22-18-12-27(2,3)35-13-21(18)37-24(22)32-25(31)29-30-26(32)36-14-20(33)16-8-10-17(28)11-9-16/h4-11H,12-14H2,1-3H3InChIKey
FHJBVVWLBOGEMP-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)77dimethyl4(2methylphenyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)77dimethyl4(otolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Br)SC6=C3CC(OC6)(C)C
InChI=1SC27H23BrN4O3S2c115645719(15)3123(34)22181227(23)351321(18)3724(22)3225(31)293026(32)361420(33)1681017(28)11916h411H1214H213H3
MFCD02986536
ZINC000001827077
ZINC01827077
ZINC1827077
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