Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-4-(4-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
STK699041
SMILES Cc1ccc(cc1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2SCC(=O)c1ccc(cc1)Br
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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/c1-15-4-10-18(11-5-15)31-23(34)22-19-12-27(2,3)35-13-21(19)37-24(22)32-25(31)29-30-26(32)36-14-20(33)16-6-8-17(28)9-7-16/h4-11H,12-14H2,1-3H3InChIKey
QJYCFICIQYXXJS-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)77dimethyl4(4methylphenyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)77dimethyl4(ptolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Br)SC6=C3CC(OC6)(C)C
InChI=1SC27H23BrN4O3S2c11541018(11515)3123(34)22191227(23)351321(19)3724(22)3225(31)293026(32)361420(33)166817(28)9716h411H1214H213H3
MFCD01880658
ZINC000001868043
ZINC01868043
ZINC1868043
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