Vitas-M small molecule compound

methyl {[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate

Catalog ID
STL240687
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

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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 C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-29-17(27)13-30-22-24-23-21-25(12-11-14-7-3-2-4-8-14)19(28)18-15-9-5-6-10-16(15)31-20(18)26(21)22/h2-4,7-8H,5-6,9-13H2,1H3
InChIKey
SIBKPFIHADFNQU-UHFFFAOYSA-N
Synonyms
488859-44-5
488859445
COC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CCC5=CC=CC=C5
InChI=1SC22H22N4O3S2c12917(27)13302224232125(1211147324814)19(28)18159561016(15)3120(18)26(21)22h2478H56913H21H3
methyl((5oxo4(2phenylethyl)456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((5oxo4phenethyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD03295146
ZINC000001302753
ZINC01302753
ZINC1302753

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Available files

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