Vitas-M small molecule compound
3-[(3-methoxybenzyl)sulfanyl]-4-(propan-2-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Catalog ID
STK466274
SMILES COc1cccc(c1)CSc1nnc(n1C(C)C)c1csc2c1CCCC2
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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 C21H25N3OS2 MW 399.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3OS2/c1-14(2)24-20(18-13-26-19-10-5-4-9-17(18)19)22-23-21(24)27-12-15-7-6-8-16(11-15)25-3/h6-8,11,13-14H,4-5,9-10,12H2,1-3H3InChIKey
LJSCDIZSHSHFRH-UHFFFAOYSA-NSynonyms
3((3methoxybenzyl)sulfanyl)4(propan2yl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
3((3methoxyphenyl)methylsulfanyl)4propan2yl5(4567tetrahydro1benzothiophen3yl)124triazole
CC(C)N1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=CSC4=C3CCCC4
InChI=1SC21H25N3OS2c114(2)2420(181326191054917(18)19)222321(24)27121576816(1115)253h68111314H4591012H213H3
MFCD06758725
ZINC000017081775
ZINC17081775
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