Vitas-M small molecule compound
4-(4-chlorophenyl)-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK555817
SMILES Clc1ccc(cc1)n1c(=O)c2c3CCCCc3sc2n2c1nnc2S
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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 C17H13ClN4OS2 MW 388.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4OS2/c18-9-5-7-10(8-6-9)21-14(23)13-11-3-1-2-4-12(11)25-15(13)22-16(21)19-20-17(22)24/h5-8H,1-4H2,(H,20,24)InChIKey
PUBRHFPHQITAQT-UHFFFAOYSA-NSynonyms
843624-33-94(4chlorophenyl)1mercapto6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4chlorophenyl)1sulfanyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
843624339
C1CCC2=C(C1)C3=C(S2)N4C(=S)NN=C4N(C3=O)C5=CC=C(C=C5)Cl
InChI=1SC17H13ClN4OS2c1895710(869)2114(23)1311312412(11)2515(13)2216(21)192017(22)24h58H14H2(H2024)
MFCD04013840
ZINC000006192076
ZINC6192076
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