Vitas-M small molecule compound

8-benzyl-1-[(4-methoxybenzyl)sulfanyl]-4-phenyl-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
STK530781
SMILES COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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 C31H27N5O2S2 MW 565.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O2S2/c1-38-24-14-12-22(13-15-24)20-39-31-33-32-30-35(23-10-6-3-7-11-23)28(37)27-25-16-17-34(18-21-8-4-2-5-9-21)19-26(25)40-29(27)36(30)31/h2-15H,16-20H2,1H3
InChIKey
IFWWDHYYWMCJDC-UHFFFAOYSA-N
Synonyms

8benzyl1((4methoxybenzyl)sulfanyl)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8benzyl1((4methoxybenzyl)thio)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
COC1=CC=C(C=C1)CSC2=NN=C3N2C4=C(C5=C(S4)CN(CC5)CC6=CC=CC=C6)C(=O)N3C7=CC=CC=C7
InChI=1SC31H27N5O2S2c13824141222(131524)20393133323035(23106371123)28(37)2725161734(18218425921)1926(25)4029(27)36(30)31h215H1620H21H3
MFCD02239680
ZINC000033354439
ZINC33354439

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Available files

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