Vitas-M small molecule compound

4-{(Z)-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate

Catalog ID
STK823781
SMILES COc1cc(ccc1OC(=O)C)/C=c/1\sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2

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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 C22H17N3O6S MW 451.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O6S/c1-12(26)30-16-8-7-13(9-17(16)28-2)10-19-21(27)25-22(32-19)23-20(24-25)18-11-29-14-5-3-4-6-15(14)31-18/h3-10,18H,11H2,1-2H3/b19-10-
InChIKey
CJSZMSUBRRKVNM-GRSHGNNSSA-N
Synonyms

(4((Z)(2(23dihydro14benzodioxin3yl)6oxo(13)thiazolo(32b)(124)triazol5ylidene)methyl)2methoxyphenyl)acetate
4((Z)(2(23dihydro14benzodioxin2yl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC
COc1cc(ccc1OC(=O)C)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC22H17N3O6Sc112(26)30168713(917(16)282)101921(27)2522(3219)2320(2425)18112914534615(14)3118h31018H11H212H3b1910
MFCD18075685
ZINC000027021026
ZINC000027021032

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Available files

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