Vitas-M small molecule compound
1-[(2-methylprop-2-en-1-yl)sulfanyl]-4-phenyl-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
STK526679
SMILES CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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 C22H22N4OS2 MW 422.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4OS2/c1-14(2)13-28-22-24-23-21-25(15-9-5-3-6-10-15)19(27)18-16-11-7-4-8-12-17(16)29-20(18)26(21)22/h3,5-6,9-10H,1,4,7-8,11-13H2,2H3InChIKey
RVKCKOBFCDIKDI-UHFFFAOYSA-NSynonyms
372082-74-11((2methylallyl)thio)4phenyl78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
1((2methylprop2en1yl)sulfanyl)4phenyl78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
372082741
CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=CC=C5
InChI=1SC22H22N4OS2c114(2)13282224232125(1595361015)19(27)1816117481217(16)2920(18)26(21)22h356910H14781113H22H3
MFCD01876103
ZINC000002271549
ZINC02271549
ZINC2271549
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