Vitas-M small molecule compound
methyl 4-[(Z)-{2-[(E)-2-(4-fluorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate
Catalog ID
STK906876
SMILES COC(=O)c1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccc(cc1)F
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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 C21H14FN3O3S MW 407.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14FN3O3S/c1-28-20(27)15-7-2-14(3-8-15)12-17-19(26)25-21(29-17)23-18(24-25)11-6-13-4-9-16(22)10-5-13/h2-12H,1H3/b11-6+,17-12-InChIKey
ZWJKAXLLSSWEDO-PWFSRHFBSA-NSynonyms
845661-17-8845661178
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)F)S2
COC(=O)c1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)F
InChI=1SC21H14FN3O3Sc12820(27)157214(3815)121719(26)2521(2917)2318(2425)116134916(22)10513h212H1H3b116+1712
methyl4((Z)(2((E)2(4fluorophenyl)ethenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)benzoate
METHYL4((Z)(2((E)2(4FLUOROPHENYL)ETHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)BENZOATE
methyl4((Z)(2((E)4fluorostyryl)6oxothiazolo(32b)(124)triazol5(6H)ylidene)methyl)benzoate
MFCD04168271
ZINC000005180193
ZINC05180193
ZINC5180193
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