Vitas-M small molecule compound
2-(4-chloro-3-methylphenoxy)-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
Catalog ID
STK234648
SMILES O=C(Nc1cc(ccc1C)c1nn2c(s1)nnc2C)COc1ccc(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/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)InChIKey
BKPIHOZLZOFZCF-UHFFFAOYSA-NSynonyms
2(4CHLORANYL3METHYLPHENOXY)N(2METHYL5(3METHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYL)ETHANAMIDE
2(4chloro3methylphenoxy)N(2methyl5(3methyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)acetamide
CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)COC4=CC(=C(C=C4)Cl)C
InChI=1SC20H18ClN5O2Sc1114514(19252613(3)232420(26)2919)917(11)2218(27)1028156716(21)12(2)815h49H10H213H3(H2227)
MFCD04389740
ZINC000003656289
ZINC03656289
ZINC3656289
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