Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-cyclohexyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL036319
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3
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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 C25H25BrN4O2S2 MW 557.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O2S2/c26-16-12-10-15(11-13-16)19(31)14-33-25-28-27-24-29(17-6-2-1-3-7-17)22(32)21-18-8-4-5-9-20(18)34-23(21)30(24)25/h10-13,17H,1-9,14H2InChIKey
HAFVPQIKDGPUGJ-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4cyclohexyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)4cyclohexyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
C1CCC(CC1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Br)SC6=C3CCCC6
InChI=1SC25H25BrN4O2S2c2616121015(111316)19(31)14332528272429(176213717)22(32)2118845920(18)3423(21)30(24)25h101317H1914H2
MFCD01565433
ZINC000001884368
ZINC01884368
ZINC1884368
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