Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK539128
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3
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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 C25H19BrN4O2S2 MW 551.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN4O2S2/c1-14-4-2-5-17(12-14)29-22(32)21-18-6-3-7-20(18)34-23(21)30-24(29)27-28-25(30)33-13-19(31)15-8-10-16(26)11-9-15/h2,4-5,8-12H,3,6-7,13H2,1H3InChIKey
KYJGLSSSNCRNSN-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4(3methylphenyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)4(mtolyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Br)SC6=C3CCC6
InChI=1SC25H19BrN4O2S2c11442517(1214)2922(32)211863720(18)3423(21)3024(29)272825(30)331319(31)1581016(26)11915h245812H36713H21H3
MFCD03285079
ZINC000001813039
ZINC01813039
ZINC1813039
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