Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)benzylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818006
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)OCc1ccccc1)/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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-2-3-7-18-34-24-16-12-23(13-17-24)27-30-29-32(31-27)28(33)26(36-29)19-21-10-14-25(15-11-21)35-20-22-8-5-4-6-9-22/h4-6,8-17,19H,2-3,7,18,20H2,1H3/b26-19-InChIKey
RFOOHKHIXUSISV-XHPQRKPJSA-NSynonyms
(5Z)2(4PENTOXYPHENYL)5((4PHENYLMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(benzyloxy)benzylidene)2(4(pentyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O
InChI=1SC29H27N3O3Sc1237183424161223(131724)27302932(3127)28(33)26(3629)1921101425(151121)3520228546922h4681719H2371820H21H3b2619
MFCD06643036
ZINC000003649097
ZINC03649097
ZINC3649097
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