Vitas-M small molecule compound

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

Catalog ID
STK531070
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCC(Cc1s2)C)SCc1ccc2c(c1)OCO2

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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 C27H24N4O4S2 MW 532.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4S2/c1-15-3-9-19-22(11-15)37-25-23(19)24(32)30(17-5-7-18(33-2)8-6-17)26-28-29-27(31(25)26)36-13-16-4-10-20-21(12-16)35-14-34-20/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3
InChIKey
CUJYTLBUZHWNIC-UHFFFAOYSA-N
Synonyms

1((13benzodioxol5ylmethyl)sulfanyl)4(4methoxyphenyl)8methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)4(4methoxyphenyl)8methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C7=CC=C(C=C7)OC
InChI=1SC27H24N4O4S2c115391922(1115)372523(19)24(32)30(175718(332)8617)26282927(31(25)26)3613164102021(1216)35143420h48101215H39111314H212H3
MFCD02242143
ZINC000001246282
ZINC000001246283

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Available files

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