Vitas-M small molecule compound

5-[3-(dimethylamino)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK470302
SMILES C=CCn1c(S)nnc1c1cccc(c1)N(C)C

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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 C13H16N4S MW 260.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4S/c1-4-8-17-12(14-15-13(17)18)10-6-5-7-11(9-10)16(2)3/h4-7,9H,1,8H2,2-3H3,(H,15,18)
InChIKey
CXOGJNUETYZCQU-UHFFFAOYSA-N
Synonyms
860792-65-0
3(3(dimethylamino)phenyl)4prop2enyl1H124triazole5thione
4ALLYL5(3(DIMETHYLAMINO)PHENYL)4H124TRIAZOLE3THIOL
5(3(DIMETHYLAMINO)PHENYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
5(3(dimethylamino)phenyl)4(prop2en1yl)4H124triazole3thiol
5(3(DIMETHYLAMINO)PHENYL)4PROP2ENYL124TRIAZOLE3THIOL
860792650
CN(C)C1=CC=CC(=C1)C2=NNC(=S)N2CC=C
InChI=1SC13H16N4Sc1481712(141513(17)18)1065711(910)16(2)3h479H18H223H3(H1518)
MFCD04968891
ZINC000002536731
ZINC02536731
ZINC2536731

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.