Vitas-M small molecule compound
3-[(3,4-dichlorobenzyl)sulfanyl]-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK465158
SMILES C=CCn1c(nnc1c1csc2c1CCC(C2)C)SCc1ccc(c(c1)Cl)Cl
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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 C21H21Cl2N3S2 MW 450.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3S2/c1-3-8-26-20(16-12-27-19-9-13(2)4-6-15(16)19)24-25-21(26)28-11-14-5-7-17(22)18(23)10-14/h3,5,7,10,12-13H,1,4,6,8-9,11H2,2H3InChIKey
YDWUBOHPYJSUCL-UHFFFAOYSA-NSynonyms
3((34dichlorobenzyl)sulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4(prop2en1yl)4H124triazole
3((34dichlorophenyl)methylsulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4prop2enyl124triazole
CC1CCC2=C(C1)SC=C2C3=NN=C(N3CC=C)SCC4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H21Cl2N3S2c1382620(16122719913(2)4615(16)19)242521(26)2811145717(22)18(23)1014h357101213H1468911H22H3
MFCD06080077
ZINC000020568863
ZINC000020568866
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