Vitas-M small molecule compound
methyl 4-{(E)-[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Catalog ID
STK814093
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccc(cc1)C(=O)OC)/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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-3-4-13-30-18-11-9-16(10-12-18)20-24-23-26(25-20)21(27)19(31-23)14-15-5-7-17(8-6-15)22(28)29-2/h5-12,14H,3-4,13H2,1-2H3/b19-14+InChIKey
JGXVNCFCVBSVGV-XMHGGMMESA-NSynonyms
606962-78-1606962781
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(=O)OC)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)C(=O)OC)c2=O
InChI=1SC23H21N3O4Sc13413301811916(101218)20242326(2520)21(27)19(3123)14155717(8615)22(28)292h51214H3413H212H3b1914+
methyl4((E)(2(4butoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)benzoate
METHYL4((E)(2(4BUTOXYPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)BENZOATE
MFCD04441956
ZINC000016730724
ZINC16730724
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