Vitas-M small molecule compound
methyl 4-[3-phenyl-7-(phenylcarbamoyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzoate
Catalog ID
STL359157
SMILES COC(=O)c1ccc(cc1)C1Nn2c(SC1C(=O)Nc1ccccc1)nnc2c1ccccc1
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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 C25H21N5O3S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O3S/c1-33-24(32)18-14-12-16(13-15-18)20-21(23(31)26-19-10-6-3-7-11-19)34-25-28-27-22(30(25)29-20)17-8-4-2-5-9-17/h2-15,20-21,29H,1H3,(H,26,31)InChIKey
CCIHLQDPGVHALP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI=1SC25H21N5O3Sc13324(32)18141216(131518)2021(23(31)2619106371119)3425282722(30(25)2920)178425917h215202129H1H3(H2631)
methyl4(3phenyl7(phenylcarbamoyl)67dihydro5H(124)triazolo(34b)(134)thiadiazin6yl)benzoate
MFCD08087536
ZINC000009236236
ZINC000009236240
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