Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-(4-methoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK982816
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)OC)/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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-3-4-13-28-18-11-7-16(8-12-18)20-23-22-25(24-20)21(26)19(29-22)14-15-5-9-17(27-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3/b19-14-InChIKey
YWAYWRPSRUBZLQ-RGEXLXHISA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((4METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(4methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)OC)c2=O
InChI=1SC22H21N3O3Sc13413281811716(81218)20232225(2420)21(26)19(2922)14155917(272)10615h51214H3413H212H3b1914
MFCD03497484
ZINC000001806308
ZINC01806308
ZINC1806308
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