Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-(3-methoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815927
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cccc(c1)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/c1-3-4-12-28-17-10-8-16(9-11-17)20-23-22-25(24-20)21(26)19(29-22)14-15-6-5-7-18(13-15)27-2/h5-11,13-14H,3-4,12H2,1-2H3/b19-14-InChIKey
KSUXBZVVDJTBNH-RGEXLXHISA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((3METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(3methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)OC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)OC)c2=O
InChI=1SC22H21N3O3Sc13412281710816(91117)20232225(2420)21(26)19(2922)141565718(1315)272h5111314H3412H212H3b1914
MFCD03532802
ZINC000003636967
ZINC03636967
ZINC3636967
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