Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-3-(phenoxymethyl)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL360107
SMILES O=C(C1Sc2nnc(n2NC1c1ccccc1)COc1ccccc1)Nc1cccc(c1C)Cl
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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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-16-19(26)13-8-14-20(16)27-24(32)23-22(17-9-4-2-5-10-17)30-31-21(28-29-25(31)34-23)15-33-18-11-6-3-7-12-18/h2-14,22-23,30H,15H2,1H3,(H,27,32)InChIKey
ODKHHPUYWSYVBY-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)NC(=O)C2C(NN3C(=NN=C3S2)COC4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC25H22ClN5O2Sc11619(26)1381420(16)2724(32)2322(1794251017)303121(282925(31)3423)153318116371218h214222330H15H21H3(H2732)
MFCD08575515
N(3chloro2methylphenyl)3(phenoxymethyl)6phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009295232
ZINC000009295235
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