Vitas-M small molecule compound
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL019303
SMILES C1COc2c(OC1)ccc(c2)c1nn2c(s1)nnc2c1ccncc1
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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 C17H13N5O2S MW 351.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O2S/c1-8-23-13-3-2-12(10-14(13)24-9-1)16-21-22-15(19-20-17(22)25-16)11-4-6-18-7-5-11/h2-7,10H,1,8-9H2InChIKey
TZRABQIMBXULOL-UHFFFAOYSA-NSynonyms
853891-85-76(2H3H4HBENZO(B)14DIOXEPAN7YL)3(4PYRIDYL)124TRIAZOLO(34B)134THIADIAZOLINE
6(34dihydro2H15benzodioxepin7yl)3(pyridin4yl)(124)triazolo(34b)(134)thiadiazole
6(34DIHYDRO2H15BENZODIOXEPIN7YL)3PYRIDIN4YL(124)TRIAZOLO(34B)(134)THIADIAZOLE
6(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)3(PYRIDIN4YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
853891857
C1COC2=C(C=C(C=C2)C3=NN4C(=NN=C4S3)C5=CC=NC=C5)OC1
InChI=1SC17H13N5O2Sc1823133212(1014(13)2491)16212215(192017(22)2516)1146187511h2710H189H2
MFCD06438932
ZINC000004540234
ZINC04540234
ZINC4540234
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