Vitas-M small molecule compound
pentyl {[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Catalog ID
STK721049
SMILES CCCCCOC(=O)CSc1nnc2n1c(SC)nc1c2c2CC(OCc2s1)C(C)C
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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 C21H28N4O3S3 MW 480.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S3/c1-5-6-7-8-27-16(26)11-30-21-24-23-18-17-13-9-14(12(2)3)28-10-15(13)31-19(17)22-20(29-4)25(18)21/h12,14H,5-11H2,1-4H3InChIKey
SGUWDGMJGMBOAO-UHFFFAOYSA-NSynonyms
370574-80-4370574804
CCCCCOC(=O)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)COC(C4)C(C)C)SC
InChI=1SC21H28N4O3S3c156782716(26)1130212423181713914(12(2)3)281015(13)3119(17)2220(294)25(18)21h1214H511H214H3
MFCD03011135
pentyl((5(methylsulfanyl)10(propan2yl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
pentyl2((10isopropyl5(methylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
ZINC000001830415
ZINC000001830416
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