Vitas-M small molecule compound

1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Catalog ID
STK722736
SMILES CC1CCCc2c1c1c(s2)n2c(SCc3ccc4c(c3)OCO4)nnc2n(c1=O)c1ccccc1

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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 C26H22N4O3S2 MW 502.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3S2/c1-15-6-5-9-20-21(15)22-23(31)29(17-7-3-2-4-8-17)25-27-28-26(30(25)24(22)35-20)34-13-16-10-11-18-19(12-16)33-14-32-18/h2-4,7-8,10-12,15H,5-6,9,13-14H2,1H3
InChIKey
UNEMYWZALPVSLE-UHFFFAOYSA-N
Synonyms

1((13benzodioxol5ylmethyl)sulfanyl)6methyl4phenyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)6methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SCC5=CC6=C(C=C5)OCO6)N(C3=O)C7=CC=CC=C7
InChI=1SC26H22N4O3S2c1156592021(15)2223(31)29(177324817)25272826(30(25)24(22)3520)34131610111819(1216)33143218h2478101215H5691314H21H3
MFCD02240397
ZINC000000985803
ZINC000000985804

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Available files

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