Vitas-M small molecule compound
3-(2-methoxyphenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Catalog ID
STK838299
SMILES COc1ccccc1c1nnc2n1N=C(CS2)c1cccc(c1)[N+](=O)[O-]
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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 C17H13N5O3S MW 367.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O3S/c1-25-15-8-3-2-7-13(15)16-18-19-17-21(16)20-14(10-26-17)11-5-4-6-12(9-11)22(23)24/h2-9H,10H2,1H3InChIKey
XIKMOKZBGMSMAM-UHFFFAOYSA-NSynonyms
2METHOXY1(6(3NITROPHENYL)(7H124TRIAZOLO(34B)134THIADIAZIN3YL))BENZENE
3(2methoxyphenyl)6(3nitrophenyl)7H(124)triazolo(34b)(134)thiadiazine
COC1=CC=CC=C1C2=NN=C3N2N=C(CS3)C4=CC(=CC=C4)(N+)(=O)(O)
COc1ccccc1c1nnc2n1N=C(CS2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC17H13N5O3Sc12515832713(15)1618191721(16)2014(102617)1154612(911)22(23)24h29H10H21H3
MFCD02163169
ZINC000001316670
ZINC01316670
ZINC1316670
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