Vitas-M small molecule compound
butyl 4-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK508035
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)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 C29H29N3O4S2 MW 547.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4S2/c1-2-3-17-36-28(35)19-13-15-20(16-14-19)30-24(33)18-37-29-31-26-25(22-11-7-8-12-23(22)38-26)27(34)32(29)21-9-5-4-6-10-21/h4-6,9-10,13-16H,2-3,7-8,11-12,17-18H2,1H3,(H,30,33)InChIKey
ZGTPOLOCZQCIBU-UHFFFAOYSA-NSynonyms
332412-58-5332412585
butyl4((((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
butyl4((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
butyl4(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
InChI=1SC29H29N3O4S2c123173628(35)19131520(161419)3024(33)183729312625(2211781223(22)3826)27(34)32(29)2195461021h469101316H237811121718H21H3(H3033)
MFCD00312411
ZINC000002334453
ZINC2334453
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