Vitas-M small molecule compound
3-[(3-methoxybenzyl)sulfanyl]-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Catalog ID
STK465184
SMILES C=CCn1c(nnc1c1csc2c1CCCC2)SCc1cccc(c1)OC
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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 C21H23N3OS2 MW 397.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3OS2/c1-3-11-24-20(18-14-26-19-10-5-4-9-17(18)19)22-23-21(24)27-13-15-7-6-8-16(12-15)25-2/h3,6-8,12,14H,1,4-5,9-11,13H2,2H3InChIKey
HJPNNDXSINNMEZ-UHFFFAOYSA-NSynonyms
3((3methoxybenzyl)sulfanyl)4(prop2en1yl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
3((3methoxyphenyl)methylsulfanyl)4prop2enyl5(4567tetrahydro1benzothiophen3yl)124triazole
COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)C3=CSC4=C3CCCC4
InChI=1SC21H23N3OS2c13112420(181426191054917(18)19)222321(24)27131576816(1215)252h3681214H14591113H22H3
MFCD06756099
ZINC000017081366
ZINC17081366
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