Vitas-M small molecule compound
4-[(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
STK818325
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)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/c1-3-4-5-6-15-31-20-13-9-19(10-14-20)23-26-25-28(27-23)24(30)22(33-25)16-18-7-11-21(12-8-18)32-17(2)29/h7-14,16H,3-6,15H2,1-2H3/b22-16-InChIKey
DSRVFYIPKKREIJ-JWGURIENSA-NSynonyms
(4((Z)(2(4HEXOXYPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
4((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=C(C=C4)OC(=O)C)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)OC(=O)C)c2=O
InChI=1SC25H25N3O4Sc1345615312013919(101420)23262528(2723)24(30)22(3325)161871121(12818)3217(2)29h71416H3615H212H3b2216
MFCD06643086
ZINC000003649170
ZINC03649170
ZINC3649170
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