Vitas-M small molecule compound

1-{[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole

Catalog ID
STK506595
SMILES COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2Cn1nnc2c1cccc2

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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 C19H17N7O3S MW 423.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N7O3S/c1-27-14-8-11(9-15(28-2)17(14)29-3)18-23-26-16(21-22-19(26)30-18)10-25-13-7-5-4-6-12(13)20-24-25/h4-9H,10H2,1-3H3
InChIKey
IZEROGYDFNFIHN-UHFFFAOYSA-N
Synonyms

1((6(345TRIMETHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)METHYL)1H123BENZOTRIAZOLE
1((6(345trimethoxyphenyl)(124)triazolo(34b)(134)thiadiazol3yl)methyl)1Hbenzotriazole
3(benzotriazol1ylmethyl)6(345trimethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4
InChI=1SC19H17N7O3Sc12714811(915(282)17(14)293)18232616(212219(26)3018)102513754612(13)202425h49H10H213H3
MFCD06590365
ZINC000008453202
ZINC08453202
ZINC8453202

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Available files

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