Vitas-M small molecule compound

3-butyl-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STK679027
SMILES CCCCc1nnc2n1N=C(CS2)c1ccc(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 C14H15ClN4S MW 306.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15ClN4S/c1-2-3-4-13-16-17-14-19(13)18-12(9-20-14)10-5-7-11(15)8-6-10/h5-8H,2-4,9H2,1H3
InChIKey
MSJWYZQCPMCPAS-UHFFFAOYSA-N
Synonyms

3butyl6(4chlorophenyl)7H(124)triazolo(34b)(134)thiadiazine
CCCCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)Cl
InChI=1SC14H15ClN4Sc12341316171419(13)1812(92014)105711(15)8610h58H249H21H3
MFCD03408206
ZINC000004580286
ZINC04580286
ZINC4580286

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Available files

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