Vitas-M small molecule compound
methyl 4-{7-[(2,5-dimethylphenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Catalog ID
STL358890
SMILES COC(=O)c1ccc(cc1)C1Nn2c(C)nnc2SC1C(=O)Nc1cc(C)ccc1C
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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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-12-5-6-13(2)17(11-12)23-20(28)19-18(26-27-14(3)24-25-22(27)31-19)15-7-9-16(10-8-15)21(29)30-4/h5-11,18-19,26H,1-4H3,(H,23,28)InChIKey
BGSTYROAZXWCJW-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)NC(=O)C2C(NN3C(=NN=C3S2)C)C4=CC=C(C=C4)C(=O)OC
InChI=1SC22H23N5O3Sc1125613(2)17(1112)2320(28)1918(262714(3)242522(27)3119)157916(10815)21(29)304h511181926H14H3(H2328)
methyl4(7((25dimethylphenyl)carbamoyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazin6yl)benzoate
MFCD07433416
ZINC000009237744
ZINC000009237747
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