Vitas-M small molecule compound
(5E)-5-(4-tert-butylbenzylidene)-2-[4-(2-methylpropoxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK812373
SMILES CC(COc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccc(cc1)C(C)(C)C)/c2=O)C
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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 C25H27N3O2S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2S/c1-16(2)15-30-20-12-8-18(9-13-20)22-26-24-28(27-22)23(29)21(31-24)14-17-6-10-19(11-7-17)25(3,4)5/h6-14,16H,15H2,1-5H3/b21-14+InChIKey
NFVGNRAKZCLMQI-KGENOOAVSA-NSynonyms
(5E)5((4TERTBUTYLPHENYL)METHYLIDENE)2(4(2METHYLPROPOXY)PHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4tertbutylbenzylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)COC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(C)(C)C)SC3=N2
CC(COc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)C(C)(C)C)c2=O)C
InChI=1SC25H27N3O2Sc116(2)15302012818(91320)22262428(2722)23(29)21(3124)141761019(11717)25(34)5h61416H15H215H3b2114+
MFCD06264999
ZINC000006214021
ZINC06214021
ZINC6214021
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