Vitas-M small molecule compound
N-benzyl-6-(3-chloro-4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359238
SMILES COc1ccc(cc1Cl)C1Nn2c(SC1C(=O)NCc1ccccc1)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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-33-20-13-12-18(14-19(20)26)21-22(24(32)27-15-16-8-4-2-5-9-16)34-25-29-28-23(31(25)30-21)17-10-6-3-7-11-17/h2-14,21-22,30H,15H2,1H3,(H,27,32)InChIKey
NWSARZZAXGNWQU-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2C(SC3=NN=C(N3N2)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5)Cl
InChI=1SC25H22ClN5O2Sc13320131218(1419(20)26)2122(24(32)2715168425916)3425292823(31(25)3021)17106371117h214212230H15H21H3(H2732)
MFCD08098698
Nbenzyl6(3chloro4methoxyphenyl)3phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009238724
ZINC000009238728
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