Vitas-M small molecule compound
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
Catalog ID
STK199339
SMILES O=C(Nc1cccc(c1)c1nn2c(s1)nnc2C)COc1cc(C)c(c(c1)C)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 C20H18ClN5O2S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O2S/c1-11-7-16(8-12(2)18(11)21)28-10-17(27)22-15-6-4-5-14(9-15)19-25-26-13(3)23-24-20(26)29-19/h4-9H,10H2,1-3H3,(H,22,27)InChIKey
RQPRALUXZPVFMW-UHFFFAOYSA-NSynonyms
2(4CHLORO35DIMETHYLPHENOXY)N(3(3METHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYL)ACETAMIDE
CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=CC(=C2)C3=NN4C(=NN=C4S3)C
InChI=1SC20H18ClN5O2Sc111716(812(2)18(11)21)281017(27)221564514(915)19252613(3)232420(26)2919h49H10H213H3(H2227)
MFCD05852176
ZINC000002891205
ZINC02891205
ZINC2891205
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