Vitas-M small molecule compound
(5Z)-2-[4-(pentyloxy)phenyl]-5-(3-phenoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817500
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cccc(c1)Oc1ccccc1)/c2=O
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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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-2-3-7-17-33-22-15-13-21(14-16-22)26-29-28-31(30-26)27(32)25(35-28)19-20-9-8-12-24(18-20)34-23-10-5-4-6-11-23/h4-6,8-16,18-19H,2-3,7,17H2,1H3/b25-19-InChIKey
NLLKHPFSINBVAL-PLRJNAJWSA-NSynonyms
(5Z)2(4(pentyloxy)phenyl)5(3phenoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4PENTOXYPHENYL)5((3PHENOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)OC5=CC=CC=C5)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)Oc1ccccc1)c2=O
InChI=1SC28H25N3O3Sc1237173322151321(141622)26292831(3026)27(32)25(3528)1920981224(1820)3423105461123h468161819H23717H21H3b2519
MFCD06308812
ZINC000003648998
ZINC03648998
ZINC3648998
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