Vitas-M small molecule compound
methyl 4-{7-[(2,3-dimethylphenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Catalog ID
STL359162
SMILES COC(=O)c1ccc(cc1)C1Nn2c(SC1C(=O)Nc1cccc(c1C)C)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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-16-8-7-11-21(17(16)2)28-25(33)23-22(18-12-14-20(15-13-18)26(34)35-3)31-32-24(29-30-27(32)36-23)19-9-5-4-6-10-19/h4-15,22-23,31H,1-3H3,(H,28,33)InChIKey
CYHHTRKYEZDPJR-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)C2C(NN3C(=NN=C3S2)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC)C
InChI=1SC27H25N5O3Sc116871121(17(16)2)2825(33)2322(18121420(151318)26(34)353)313224(293027(32)3623)1995461019h415222331H13H3(H2833)
methyl4(7((23dimethylphenyl)carbamoyl)3phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazin6yl)benzoate
MFCD08087534
ZINC000009236223
ZINC000009236229
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