Vitas-M small molecule compound
methyl 4-{7-[(3-methylphenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Catalog ID
STL359160
SMILES COC(=O)c1ccc(cc1)C1Nn2c(SC1C(=O)Nc1cccc(c1)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 C26H23N5O3S MW 485.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O3S/c1-16-7-6-10-20(15-16)27-24(32)22-21(17-11-13-19(14-12-17)25(33)34-2)30-31-23(28-29-26(31)35-22)18-8-4-3-5-9-18/h3-15,21-22,30H,1-2H3,(H,27,32)InChIKey
ZYNQNSLWTMUZSZ-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)NC(=O)C2C(NN3C(=NN=C3S2)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC
InChI=1SC26H23N5O3Sc116761020(1516)2724(32)2221(17111319(141217)25(33)342)303123(282926(31)3522)188435918h315212230H12H3(H2732)
methyl4(7((3methylphenyl)carbamoyl)3phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazin6yl)benzoate
MFCD08087530
ZINC000009236195
ZINC000009236199
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