Vitas-M small molecule compound
1-(ethylsulfanyl)-4-(4-methoxyphenyl)-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
STK722409
SMILES CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3
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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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-3-28-21-23-22-20-24(13-9-11-14(27-2)12-10-13)18(26)17-15-7-5-4-6-8-16(15)29-19(17)25(20)21/h9-12H,3-8H2,1-2H3InChIKey
XHLJCVIJOLEIHM-UHFFFAOYSA-NSynonyms
351005-27-11(ethylsulfanyl)4(4methoxyphenyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(ethylthio)4(4methoxyphenyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
351005271
CCSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC
InChI=1SC21H22N4O2S2c13282123222024(1391114(272)121013)18(26)17157546816(15)2919(17)25(20)21h912H38H212H3
MFCD01945201
ZINC000002278341
ZINC02278341
ZINC2278341
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