Vitas-M small molecule compound
5-(benzylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK720382
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
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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 C25H21N5O2S3 MW 519.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O2S3/c31-30(32)18-12-10-17(11-13-18)15-34-25-28-27-22-21-19-8-4-5-9-20(19)35-23(21)26-24(29(22)25)33-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2InChIKey
ICBNBBMSIVAAHT-UHFFFAOYSA-NSynonyms
674362-11-9(O)(N+)(=O)c1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
5(benzylsulfanyl)3((4nitrobenzyl)sulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine
5(benzylthio)3((4nitrobenzyl)thio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine
674362119
C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC5=CC=C(C=C5)(N+)(=O)(O))SCC6=CC=CC=C6
InChI=1SC25H21N5O2S3c3130(32)18121017(111318)1534252827222119845920(19)3523(21)2624(29(22)25)3314166213716h13671013H45891415H2
MFCD04008525
ZINC000009312527
ZINC09312527
ZINC9312527
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