Vitas-M small molecule compound
methyl (2Z)-[(9E)-9-benzylidene-3-oxo-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-2(3H)-ylidene]ethanoate
Catalog ID
STL006036
SMILES COC(=O)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1)CCC/C/3=C\c1ccccc1
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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 C26H22N2O3S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O3S/c1-31-22(29)16-21-25(30)28-24(18-11-6-3-7-12-18)20-14-8-13-19(23(20)27-26(28)32-21)15-17-9-4-2-5-10-17/h2-7,9-12,15-16,24H,8,13-14H2,1H3/b19-15+,21-16-InChIKey
VEAGHSKLQIKKMD-HZKYKWALSA-NSynonyms
947254-59-3(Z)methyl2((E)9benzylidene3oxo5phenyl356789hexahydro2Hthiazolo(23b)quinazolin2ylidene)acetate
947254593
COC(=O)C=C1C(=O)N2C(C3=C(C(=CC4=CC=CC=C4)CCC3)N=C2S1)C5=CC=CC=C5
COC(=O)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1)CCCC3=Cc1ccccc1
InChI=1SC26H22N2O3Sc13122(29)162125(30)2824(18116371218)201481319(23(20)2726(28)3221)151794251017h27912151624H81314H21H3b1915+2116
methyl(2Z)((9E)9benzylidene3oxo5phenyl6789tetrahydro5H(13)thiazolo(23b)quinazolin2(3H)ylidene)ethanoate
methyl(2Z)2((9E)9benzylidene3oxo5phenyl5678tetrahydro(13)thiazolo(23b)quinazolin2ylidene)acetate
MFCD04161530
ZINC000013759301
ZINC000013759302
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