Vitas-M small molecule compound

8-tert-butyl-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine

Catalog ID
STK283553
SMILES COc1ccccc1c1nnc2n1N=CC=C(S2)C(C)(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 C16H18N4OS MW 314.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4OS/c1-16(2,3)13-9-10-17-20-14(18-19-15(20)22-13)11-7-5-6-8-12(11)21-4/h5-10H,1-4H3
InChIKey
KVANGSRRXKJYSW-UHFFFAOYSA-N
Synonyms
875005-75-7
2(8TERTBUTYL(124)TRIAZOLO(34B)(134)THIADIAZEPIN3YL)PHENYLMETHYLETHER
8(tertbutyl)3(2methoxyphenyl)(124)triazolo(34b)(134)thiadiazepine
875005757
8TERTBUTYL3(2METHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZEPINE
CC(C)(C)C1=CC=NN2C(=NN=C2S1)C3=CC=CC=C3OC
InChI=1SC16H18N4OSc116(23)13910172014(181915(20)2213)11756812(11)214h510H14H3
MFCD06753430
ZINC000004512839
ZINC04512839
ZINC4512839

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Available files

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