Vitas-M small molecule compound
5-(benzylsulfanyl)-10,10-dimethyl-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK720335
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
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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 C26H23N5O3S3 MW 549.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O3S3/c1-26(2)12-19-20(13-34-26)37-23-21(19)22-28-29-25(36-15-17-8-10-18(11-9-17)31(32)33)30(22)24(27-23)35-14-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3InChIKey
LFKZJSFSNNWQJJ-UHFFFAOYSA-NSynonyms
579439-93-3(O)(N+)(=O)c1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
5(benzylsulfanyl)1010dimethyl3((4nitrobenzyl)sulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
5(benzylthio)1010dimethyl3((4nitrobenzyl)thio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
579439933
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC6=CC=C(C=C6)(N+)(=O)(O))C
InChI=1SC26H23N5O3S3c126(2)121920(133426)372321(19)22282925(36151781018(11917)31(32)33)30(22)24(2723)3514166435716h311H1215H212H3
MFCD04032459
ZINC000001846493
ZINC01846493
ZINC1846493
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