Vitas-M small molecule compound
N-benzyl-2-(2-benzyl-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl)acetamide
Catalog ID
STK637528
SMILES O=C(Cn1c(=O)n2nc(nc2c2c1sc1c2CCCC1)Cc1ccccc1)NCc1ccccc1
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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 C27H25N5O2S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O2S/c33-23(28-16-19-11-5-2-6-12-19)17-31-26-24(20-13-7-8-14-21(20)35-26)25-29-22(30-32(25)27(31)34)15-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,28,33)InChIKey
GZCURPMFMCRVPV-UHFFFAOYSA-NSynonyms
1010922-03-81010922038
C1CCC2=C(C1)C3=C(S2)N(C(=O)N4C3=NC(=N4)CC5=CC=CC=C5)CC(=O)NCC6=CC=CC=C6
InChI=1SC27H25N5O2Sc3323(281619115261219)17312624(2013781421(20)3526)252922(3032(25)27(31)34)151893141018h16912H781317H2(H2833)
MFCD12199713
Nbenzyl2(2benzyl5oxo891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidin6(5H)yl)acetamide
Nbenzyl2(2benzyl5oxo891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(15c)pyrimidin6(5H)yl)acetamide
ZINC000012322175
ZINC12322175
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