Vitas-M small molecule compound
3-[(Z)-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]phenyl acetate
Catalog ID
STK818523
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cccc(c1)OC(=O)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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-3-4-5-6-14-31-20-12-10-19(11-13-20)23-26-25-28(27-23)24(30)22(33-25)16-18-8-7-9-21(15-18)32-17(2)29/h7-13,15-16H,3-6,14H2,1-2H3/b22-16-InChIKey
GWJQCEDKVSEQOX-JWGURIENSA-NSynonyms
(3((Z)(2(4HEXOXYPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
3((Z)(2(4(hexyloxy)phenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)OC(=O)C)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)OC(=O)C)c2=O
InChI=1SC25H25N3O4Sc13456143120121019(111320)23262528(2723)24(30)22(3325)161887921(1518)3217(2)29h7131516H3614H212H3b2216
MFCD06643109
ZINC000003649167
ZINC03649167
ZINC3649167
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