Vitas-M small molecule compound
(5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816305
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\C=C\c1ccccc1)/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 C22H19N3O2S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S/c1-2-15-27-18-13-11-17(12-14-18)20-23-22-25(24-20)21(26)19(28-22)10-6-9-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3/b9-6+,19-10-InChIKey
XLNCLDQALIZOFL-CAMSTOTOSA-NSynonyms
(5Z)5((2E)3phenylprop2en1ylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((E)3PHENYLPROP2ENYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC=CC4=CC=CC=C4)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=CC=Cc1ccccc1)c2=O
InChI=1SC22H19N3O2Sc12152718131117(121418)20232225(2420)21(26)19(2822)1069167435816h314H215H21H3b96+1910
MFCD04509082
ZINC000003636911
ZINC03636911
ZINC3636911
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