Vitas-M small molecule compound
(5Z)-5-(4-butoxy-3-methoxybenzylidene)-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817409
SMILES CCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(c(c1)OC)OCCCC)/s2
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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 C27H31N3O4S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S/c1-4-6-8-16-33-21-12-10-20(11-13-21)25-28-27-30(29-25)26(31)24(35-27)18-19-9-14-22(23(17-19)32-3)34-15-7-5-2/h9-14,17-18H,4-8,15-16H2,1-3H3/b24-18-InChIKey
HCZRNVJPEWERGK-MOHJPFBDSA-NSynonyms
(5Z)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)2(4PENTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4butoxy3methoxybenzylidene)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)OCCCC)OC)SC3=N2
CCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(c(c1)OC)OCCCC)s2
InChI=1SC27H31N3O4Sc1468163321121020(111321)25282730(2925)26(31)24(3527)181991422(23(1719)323)3415752h9141718H481516H213H3b2418
MFCD06642974
ZINC000003649100
ZINC03649100
ZINC3649100
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