Vitas-M small molecule compound
3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylbenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK594165
SMILES C=CCn1c(nnc1SCc1cc(C)ccc1C)COc1ccc(cc1)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 C21H22ClN3OS MW 399.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3OS/c1-4-11-25-20(13-26-19-9-7-18(22)8-10-19)23-24-21(25)27-14-17-12-15(2)5-6-16(17)3/h4-10,12H,1,11,13-14H2,2-3H3InChIKey
PBAYTWXLAWPFPC-UHFFFAOYSA-NSynonyms
896854-43-61((5((25DIMETHYLPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)4CHLOROBENZENE
3((4chlorophenoxy)methyl)5((25dimethylbenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3((4CHLOROPHENOXY)METHYL)5((25DIMETHYLPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
3(4CHLOROPHENOXYMETHYL)5(((25DIMETHYLPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOLE
4allyl3((4chlorophenoxy)methyl)5((25dimethylbenzyl)thio)4H124triazole
896854436
CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl
InChI=1SC21H22ClN3OSc14112520(1326199718(22)81019)232421(25)2714171215(2)5616(17)3h41012H1111314H223H3
MFCD06603350
ZINC000002238175
ZINC02238175
ZINC2238175
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