Vitas-M small molecule compound

N,N-dimethyl-4-[6-(3-phenylpropyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

Catalog ID
STK242222
SMILES CN(c1ccc(cc1)c1nnc2n1nc(s2)CCCc1ccccc1)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 C20H21N5S MW 363.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5S/c1-24(2)17-13-11-16(12-14-17)19-21-22-20-25(19)23-18(26-20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3
InChIKey
SPGVNQZMADCHLG-UHFFFAOYSA-N
Synonyms

CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CCCC4=CC=CC=C4
InChI=1SC20H21N5Sc124(2)17131116(121417)1921222025(19)2318(2620)1069157435815h35781114H6910H212H3
MFCD08671544
NNDIMETHYL4(6(3PHENYLPROPYL)(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)ANILINE
ZINC000009192523
ZINC09192523
ZINC9192523

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Available files

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