Vitas-M small molecule compound
methyl 2-[({[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK439874
SMILES COC(=O)c1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)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 C26H25N3O4S3 MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4S3/c1-33-25(32)18-12-14-34-22(18)27-20(30)15-35-26-28-23-21(17-9-5-6-10-19(17)36-23)24(31)29(26)13-11-16-7-3-2-4-8-16/h2-4,7-8,12,14H,5-6,9-11,13,15H2,1H3,(H,27,30)InChIKey
IOUAHWPHAINTMB-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CCC5=CC=CC=C5
InChI=1SC26H25N3O4S3c13325(32)1812143422(18)2720(30)153526282321(179561019(17)3623)24(31)29(26)1311167324816h24781214H569111315H21H3(H2730)
methyl2((((4oxo3(2phenylethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl2((2((4oxo3(2phenylethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
MFCD03946022
ZINC000097945956
ZINC97945956
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