Vitas-M small molecule compound
8-benzyl-1-[(4-methylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-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
STL343483
SMILES C=CCn1c(=O)c2c3CCN(Cc3sc2n2c1nnc2SCc1ccc(cc1)C)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 C28H27N5OS2 MW 513.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5OS2/c1-3-14-32-25(34)24-22-13-15-31(16-20-7-5-4-6-8-20)17-23(22)36-26(24)33-27(32)29-30-28(33)35-18-21-11-9-19(2)10-12-21/h3-12H,1,13-18H2,2H3InChIKey
QXBDERUAOKVNSH-UHFFFAOYSA-NSynonyms
845637-13-04allyl8benzyl1((4methylbenzyl)thio)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
845637130
8benzyl1((4methylbenzyl)sulfanyl)4(prop2en1yl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)CSC2=NN=C3N2C4=C(C5=C(S4)CN(CC5)CC6=CC=CC=C6)C(=O)N3CC=C
InChI=1SC28H27N5OS2c13143225(34)2422131531(16207546820)1723(22)3626(24)3327(32)293028(33)35182111919(2)101221h312H11318H22H3
MFCD04166535
ZINC000020310321
ZINC20310321
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