Vitas-M small molecule compound
8-benzyl-1-[(4-methoxybenzyl)sulfanyl]-4-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK544518
SMILES COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCN(C3)Cc1ccccc1
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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 C32H29N5O2S2 MW 579.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O2S2/c1-21-7-6-10-24(17-21)36-29(38)28-26-15-16-35(18-22-8-4-3-5-9-22)19-27(26)41-30(28)37-31(36)33-34-32(37)40-20-23-11-13-25(39-2)14-12-23/h3-14,17H,15-16,18-20H2,1-2H3InChIKey
LXVXERUXYXSHDB-UHFFFAOYSA-NSynonyms
8benzyl1((4methoxybenzyl)sulfanyl)4(3methylphenyl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8benzyl1((4methoxybenzyl)thio)4(mtolyl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC)SC6=C3CCN(C6)CC7=CC=CC=C7
InChI=1SC32H29N5O2S2c121761024(1721)3629(38)2826151635(18228435922)1927(26)4130(28)3731(36)333432(37)402023111325(392)141223h31417H15161820H212H3
MFCD03298094
ZINC000053291562
ZINC53291562
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