Vitas-M small molecule compound
4-(4-methylphenyl)-1-sulfanyl-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722376
SMILES Cc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2S
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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 C19H18N4OS2 MW 382.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4OS2/c1-11-7-9-12(10-8-11)22-16(24)15-13-5-3-2-4-6-14(13)26-17(15)23-18(22)20-21-19(23)25/h7-10H,2-6H2,1H3,(H,21,25)InChIKey
SSPPXDYOYQBTKS-UHFFFAOYSA-NSynonyms
351161-60-91mercapto4(ptolyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
351161609
4(4methylphenyl)1sulfanyl78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCCCC5
InChI=1SC19H18N4OS2c1117912(10811)2216(24)15135324614(13)2617(15)2318(22)202119(23)25h710H26H21H3(H2125)
MFCD01949090
ZINC000006199522
ZINC06199522
ZINC6199522
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