Vitas-M small molecule compound
(5E)-2-(4-tert-butylphenyl)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK702789
SMILES COc1cc(ccc1OCCC(C)C)/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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-17(2)13-14-33-21-12-7-18(15-22(21)32-6)16-23-25(31)30-26(34-23)28-24(29-30)19-8-10-20(11-9-19)27(3,4)5/h7-12,15-17H,13-14H2,1-6H3/b23-16+InChIKey
BANNMORHLUQSFY-XQNSMLJCSA-NSynonyms
(5E)2(4TERTBUTYLPHENYL)5((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4tertbutylphenyl)5(3methoxy4(3methylbutoxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4(tertbutyl)phenyl)5(4(isopentyloxy)3methoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)S2)OC
COc1cc(ccc1OCCC(C)C)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC27H31N3O3Sc117(2)1314332112718(1522(21)326)162325(31)3026(3423)2824(2930)1981020(11919)27(34)5h7121517H1314H216H3b2316+
MFCD03225897
ZINC000026687401
ZINC26687401
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