Vitas-M small molecule compound

6-phenyl-3-(propan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STK708343
SMILES CC(c1nnc2n1N=C(CS2)c1ccccc1)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 C13H14N4S MW 258.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4S/c1-9(2)12-14-15-13-17(12)16-11(8-18-13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
KYCAVBDHSJHMTR-UHFFFAOYSA-N
Synonyms
1004088-18-9
1004088189
3ISOPROPYL6PHENYL7H(124)TRIAZOLO(34B)(134)THIADIAZINE
6PHENYL3(PROPAN2YL)7H(124)TRIAZOLO(34B)(134)THIADIAZINE
6phenyl3propan2yl7H(124)triazolo(34b)(134)thiadiazine
CC(C)C1=NN=C2N1N=C(CS2)C3=CC=CC=C3
InChI=1SC13H14N4Sc19(2)1214151317(12)1611(81813)106435710h379H8H212H3
MFCD12034423
ZINC000008400918
ZINC08400918
ZINC8400918

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Available files

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