Vitas-M small molecule compound
methyl 4-{7-[(2-fluorophenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Catalog ID
STL359159
SMILES COC(=O)c1ccc(cc1)C1Nn2c(SC1C(=O)Nc1ccccc1F)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 C25H20FN5O3S MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN5O3S/c1-34-24(33)17-13-11-15(12-14-17)20-21(23(32)27-19-10-6-5-9-18(19)26)35-25-29-28-22(31(25)30-20)16-7-3-2-4-8-16/h2-14,20-21,30H,1H3,(H,27,32)InChIKey
VNDDOHGLVCQKSK-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5F
InChI=1SC25H20FN5O3Sc13424(33)17131115(121417)2021(23(32)27191065918(19)26)3525292822(31(25)3020)167324816h214202130H1H3(H2732)
methyl4(7((2fluorophenyl)carbamoyl)3phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazin6yl)benzoate
MFCD08087535
ZINC000009236230
ZINC000009236234
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