Vitas-M small molecule compound
(5E)-5-(2-butoxybenzylidene)-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704230
SMILES CCCCOc1ccccc1/C=c\1/sc2n(c1=O)nc(n2)c1cccc(c1)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 C22H21N3O2S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O2S/c1-3-4-12-27-18-11-6-5-9-16(18)14-19-21(26)25-22(28-19)23-20(24-25)17-10-7-8-15(2)13-17/h5-11,13-14H,3-4,12H2,1-2H3/b19-14+InChIKey
KAYLQHBDABLLMP-XMHGGMMESA-NSynonyms
(5E)5((2BUTOXYPHENYL)METHYLIDENE)2(3METHYLPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(2butoxybenzylidene)2(3methylphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(2butoxybenzylidene)2(mtolyl)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC(=CC=C4)C)S2
CCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1cccc(c1)C
InChI=1SC22H21N3O2Sc1341227181165916(18)141921(26)2522(2819)2320(2425)17107815(2)1317h5111314H3412H212H3b1914+
MFCD04505378
ZINC000002397802
ZINC02397802
ZINC2397802
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