Vitas-M small molecule compound
N-benzyl-3-[(4-chlorobenzyl)sulfanyl]-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Catalog ID
STK571363
SMILES CC1CCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccc(cc1)Cl)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 C26H24ClN5S2 MW 506.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN5S2/c1-16-7-12-21-20(13-16)22-23-30-31-26(33-15-18-8-10-19(27)11-9-18)32(23)25(29-24(22)34-21)28-14-17-5-3-2-4-6-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,28,29)InChIKey
ADTIGWROUDQULS-UHFFFAOYSA-NSynonyms
862490-10-6862490106
CC1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC5=CC=C(C=C5)Cl)NCC6=CC=CC=C6
InChI=1SC26H24ClN5S2c1167122120(1316)2223303126(33151881019(27)11918)32(23)25(2924(22)3421)2814175324617h2681116H71215H21H3(H2829)
MFCD05699578
Nbenzyl3((4chlorobenzyl)sulfanyl)10methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin5amine
Nbenzyl3((4chlorobenzyl)thio)10methyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin5amine
ZINC000009344771
ZINC000009344773
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