Vitas-M small molecule compound
2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK552870
SMILES CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)[N+](=O)[O-])nn2)CCCC3
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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 C20H17N5O3S3 MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O3S3/c1-29-19-21-18-16(13-4-2-3-5-15(13)31-18)17-22-23-20(24(17)19)30-10-14(26)11-6-8-12(9-7-11)25(27)28/h6-9H,2-5,10H2,1H3InChIKey
YEQKGEYMKLIHNN-UHFFFAOYSA-NSynonyms
799784-89-72((5(methylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1(4nitrophenyl)ethanone
2((5(methylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1(4nitrophenyl)ethanone
799784897
CSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)(N+)(=O)(O))nn2)CCCC3
InChI=1SC20H17N5O3S3c12919211816(13423515(13)3118)17222320(24(17)19)301014(26)116812(9711)25(27)28h69H2510H21H3
MFCD03675132
ZINC000008738289
ZINC08738289
ZINC8738289
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