Vitas-M small molecule compound

5-[(4-chloro-2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK441965
SMILES C=CCn1c(COc2ccc(cc2C)Cl)nnc1S

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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 C13H14ClN3OS MW 295.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-5-4-10(14)7-9(11)2/h3-5,7H,1,6,8H2,2H3,(H,16,19)
InChIKey
NBZQHSIMJLTMAX-UHFFFAOYSA-N
Synonyms
21358-24-7
21358247
3((4CHLORO2METHYLPHENOXY)METHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5((4CHLORO2METHYLPHENOXY)METHYL)24DIHYDRO3H124TRIAZOLE3THIONE
4ALLYL5((4CHLORO2METHYLPHENOXY)METHYL)4H124TRIAZOLE3THIOL
4ALLYL5((4CHLORO2METHYLPHENOXY)METHYL)4H124TRIAZOLE3THIOL95
5((4chloro2methylphenoxy)methyl)4(prop2en1yl)4H124triazole3thiol
5((4CHLORO2METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOLE3THIOL
5(4CHLORO2METHYLPHENOXYMETHYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
CC1=C(C=CC(=C1)Cl)OCC2=NNC(=S)N2CC=C
InChI=1SC13H14ClN3OSc1361712(151613(17)19)818115410(14)79(11)2h357H168H22H3(H1619)
MFCD01952934
ZINC000000502603
ZINC00502603
ZINC502603

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Available files

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