Vitas-M small molecule compound
ethyl [(4-benzyl-5-oxo-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
STK525998
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)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/c1-2-29-17(27)13-30-22-24-23-21-25(12-14-8-4-3-5-9-14)19(28)18-15-10-6-7-11-16(15)31-20(18)26(21)22/h3-5,8-9H,2,6-7,10-13H2,1H3InChIKey
LBNNOBABLZWQMF-UHFFFAOYSA-NSynonyms
352657-79-5352657795
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5
ethyl((4benzyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((4benzyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC22H22N4O3S2c122917(27)13302224232125(12148435914)19(28)181510671116(15)3120(18)26(21)22h3589H2671013H21H3
MFCD01558888
ZINC000000984971
ZINC00984971
ZINC984971
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