Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-(4-tert-butylbenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815944
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)C(C)(C)C)/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 C25H27N3O2S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2S/c1-5-6-15-30-20-13-9-18(10-14-20)22-26-24-28(27-22)23(29)21(31-24)16-17-7-11-19(12-8-17)25(2,3)4/h7-14,16H,5-6,15H2,1-4H3/b21-16-InChIKey
NSYPFVMQXZACNG-PGMHBOJBSA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((4TERTBUTYLPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(4tertbutylbenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(C)(C)C)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)C(C)(C)C)c2=O
InChI=1SC25H27N3O2Sc15615302013918(101420)22262428(2722)23(29)21(3124)161771119(12817)25(23)4h71416H5615H214H3b2116
MFCD03497474
ZINC000001806283
ZINC01806283
ZINC1806283
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