Vitas-M small molecule compound

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

Catalog ID
STK506605
SMILES c1ccc2c(c1)OCC(O2)c1sc2n(n1)c(nn2)Cn1nnc2c1cccc2

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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 C18H13N7O2S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N7O2S/c1-2-6-12-11(5-1)19-23-24(12)9-16-20-21-18-25(16)22-17(28-18)15-10-26-13-7-3-4-8-14(13)27-15/h1-8,15H,9-10H2
InChIKey
JWQQOJJCZPLJLG-UHFFFAOYSA-N
Synonyms

1((6((2R)23DIHYDRO14BENZODIOXIN2YL)(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)METHYL)1HBENZOTRIAZOLE
1((6((2S)23DIHYDRO14BENZODIOXIN2YL)(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)METHYL)1HBENZOTRIAZOLE
1((6(23DIHYDRO14BENZODIOXIN2YL)(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)METHYL)1H123BENZOTRIAZOLE
1((6(23dihydro14benzodioxin2yl)(124)triazolo(34b)(134)thiadiazol3yl)methyl)1Hbenzotriazole
3(1BENZOTRIAZOLYLMETHYL)6(23DIHYDRO14BENZODIOXIN3YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(BENZOTRIAZOL1YLMETHYL)6(23DIHYDRO14BENZODIOXIN3YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
C1C(OC2=CC=CC=C2O1)C3=NN4C(=NN=C4S3)CN5C6=CC=CC=C6N=N5
InChI=1SC18H13N7O2Sc1261211(51)192324(12)91620211825(16)2217(2818)15102613734814(13)2715h1815H910H2
MFCD06590337
ZINC000002873620
ZINC000002873621

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Available files

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