Vitas-M small molecule compound
(5E)-2-(4-tert-butylphenyl)-5-[4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK702641
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)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 C26H29N3O2S MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O2S/c1-5-6-7-16-31-21-14-8-18(9-15-21)17-22-24(30)29-25(32-22)27-23(28-29)19-10-12-20(13-11-19)26(2,3)4/h8-15,17H,5-7,16H2,1-4H3/b22-17+InChIKey
FUIAQFQHNYOZQY-OQKWZONESA-NSynonyms
(5E)2(4TERTBUTYLPHENYL)5((4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4tertbutylphenyl)5(4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4(tertbutyl)phenyl)5(4(pentyloxy)benzylidene)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)S2
CCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC26H29N3O2Sc156716312114818(91521)172224(30)2925(3222)2723(2829)19101220(131119)26(23)4h81517H5716H214H3b2217+
MFCD03225771
ZINC000026687344
ZINC26687344
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