Vitas-M small molecule compound
3-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK548338
SMILES CCSc1nc2sc3c(c2c2n1c(SC/C=C(/Cl)\C)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 C17H19ClN4S3 MW 411.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN4S3/c1-3-23-16-19-15-13(11-6-4-5-7-12(11)25-15)14-20-21-17(22(14)16)24-9-8-10(2)18/h8H,3-7,9H2,1-2H3/b10-8+InChIKey
ZMDUELZEDDJAPP-CSKARUKUSA-NSynonyms
489422-98-2(E)3((3chlorobut2en1yl)thio)5(ethylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine
3(((2E)3chlorobut2en1yl)sulfanyl)5(ethylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine
489422982
CCSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC=C(C)Cl
CCSc1nc2sc3c(c2c2n1c(SCC=C(Cl)C)nn2)CCCC3
InChI=1SC17H19ClN4S3c132316191513(11645712(11)2515)14202117(22(14)16)249810(2)18h8H379H212H3b108+
MFCD03296824
ZINC000002266160
ZINC02266160
ZINC2266160
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