Vitas-M small molecule compound

methyl (2Z)-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)imino]-5-(2-methoxyphenyl)-2,3-dihydro-1,3-thiazole-4-carboxylate

Catalog ID
STL411064
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cc2ccc3c(c2)OCCCO3)/sc1c1ccccc1OC

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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 C23H22N2O6S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S/c1-28-16-7-4-3-6-15(16)21-20(22(27)29-2)25-23(32-21)24-19(26)13-14-8-9-17-18(12-14)31-11-5-10-30-17/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,24,25,26)
InChIKey
AFYAEWOMIBLHHQ-UHFFFAOYSA-N
Synonyms
1630851-77-2
1630851772
COC(=O)c1(nH)c(=NC(=O)Cc2ccc3c(c2)OCCCO3)sc1c1ccccc1OC
COC1=CC=CC=C1C2=C(N=C(S2)NC(=O)CC3=CC4=C(C=C3)OCCCO4)C(=O)OC
InChI=1SC23H22N2O6Sc12816743615(16)2120(22(27)292)2523(3221)2419(26)1314891718(1214)31115103017h346912H5101113H212H3(H242526)
methyl(2Z)2((34dihydro2H15benzodioxepin7ylacetyl)imino)5(2methoxyphenyl)23dihydro13thiazole4carboxylate
methyl2((2(34dihydro2H15benzodioxepin7yl)acetyl)amino)5(2methoxyphenyl)13thiazole4carboxylate
MFCD30706520
ZINC000170622257
ZINC170622257

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Available files

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