Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-6-[1-(2-fluorobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Catalog ID
STL145601
SMILES O=C(NCc1ccc2c(c1)OCO2)CCCCCn1c(=O)c2sccc2n(c1=O)Cc1ccccc1F
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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 C27H26FN3O5S MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O5S/c28-20-7-4-3-6-19(20)16-31-21-11-13-37-25(21)26(33)30(27(31)34)12-5-1-2-8-24(32)29-15-18-9-10-22-23(14-18)36-17-35-22/h3-4,6-7,9-11,13-14H,1-2,5,8,12,15-17H2,(H,29,32)InChIKey
XMDDOZOBUQWVAZ-UHFFFAOYSA-NSynonyms
912884-47-0912884470
C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=C(C=CS4)N(C3=O)CC5=CC=CC=C5F
InChI=1SC27H26FN3O5Sc2820743619(20)16312111133725(21)26(33)30(27(31)34)12512824(32)2915189102223(1418)36173522h34679111314H1258121517H2(H2932)
MFCD14734545
N(13benzodioxol5ylmethyl)6(1((2fluorophenyl)methyl)24dioxothieno(32d)pyrimidin3yl)hexanamide
N(13benzodioxol5ylmethyl)6(1(2fluorobenzyl)24dioxo14dihydrothieno(32d)pyrimidin3(2H)yl)hexanamide
ZINC000009598769
ZINC9598769
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