Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-6-[1-(4-fluorobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Catalog ID
STL145608
SMILES O=C(NCc1ccc2c(c1)OCO2)CCCCCn1c(=O)n(Cc2ccc(cc2)F)c2c(c1=O)scc2
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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/c28-20-8-5-18(6-9-20)16-31-21-11-13-37-25(21)26(33)30(27(31)34)12-3-1-2-4-24(32)29-15-19-7-10-22-23(14-19)36-17-35-22/h5-11,13-14H,1-4,12,15-17H2,(H,29,32)InChIKey
ZNFNDBBHODQXRE-UHFFFAOYSA-NSynonyms
912799-98-5912799985
C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=C(C=CS4)N(C3=O)CC5=CC=C(C=C5)F
InChI=1SC27H26FN3O5Sc28208518(6920)16312111133725(21)26(33)30(27(31)34)12312424(32)2915197102223(1419)36173522h5111314H14121517H2(H2932)
MFCD14734556
N(13benzodioxol5ylmethyl)6(1((4fluorophenyl)methyl)24dioxothieno(32d)pyrimidin3yl)hexanamide
N(13benzodioxol5ylmethyl)6(1(4fluorobenzyl)24dioxo14dihydrothieno(32d)pyrimidin3(2H)yl)hexanamide
ZINC000009598770
ZINC9598770
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