Vitas-M small molecule compound
(5Z)-5-[4-(hexyloxy)-3-methoxybenzylidene]-2-[4-(prop-2-en-1-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817875
SMILES CCCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCC=C
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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-4-6-7-8-16-34-22-14-9-19(17-23(22)32-3)18-24-26(31)30-27(35-24)28-25(29-30)20-10-12-21(13-11-20)33-15-5-2/h5,9-14,17-18H,2,4,6-8,15-16H2,1,3H3/b24-18-InChIKey
MPQWGCBRAZSNPP-MOHJPFBDSA-NSynonyms
(5Z)5((4HEXOXY3METHOXYPHENYL)METHYLIDENE)2(4PROP2ENOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(hexyloxy)3methoxybenzylidene)2(4(prop2en1yloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCC=C)S2)OC
CCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCC=C
InChI=1SC27H29N3O4Sc1467816342214919(1723(22)323)182426(31)3027(3524)2825(2930)20101221(131120)331552h59141718H24681516H213H3b2418
MFCD06643025
ZINC000016736624
ZINC16736624
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