Vitas-M small molecule compound
(5Z)-5-[3-methoxy-4-(octyloxy)benzylidene]-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704938
SMILES CCCCCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1
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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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c1-3-4-5-6-7-11-16-32-21-15-14-19(17-22(21)31-2)18-23-25(30)29-26(33-23)27-24(28-29)20-12-9-8-10-13-20/h8-10,12-15,17-18H,3-7,11,16H2,1-2H3/b23-18-InChIKey
KVDCPIFJNZJSNJ-NKFKGCMQSA-NSynonyms
797020-16-7(5Z)5((3METHOXY4OCTOXYPHENYL)METHYLIDENE)2PHENYL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3methoxy4(octyloxy)benzylidene)2phenyl(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(3methoxy4(octyloxy)benzylidene)2phenylthiazolo(32b)(124)triazol6(5H)one
797020167
CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2)OC
CCCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccccc1
InChI=1SC26H29N3O3Sc13456711163221151419(1722(21)312)182325(30)2926(3323)2724(2829)201298101320h81012151718H371116H212H3b2318
MFCD03663683
ZINC000100899009
ZINC100899009
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