Vitas-M small molecule compound
ethyl (2Z)-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)imino]-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL153947
SMILES CCOC(=O)c1cs/c(=N\C(=O)c2ccc3c(c2)OCCCO3)/[nH]1
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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 C16H16N2O5S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S/c1-2-21-15(20)11-9-24-16(17-11)18-14(19)10-4-5-12-13(8-10)23-7-3-6-22-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18,19)InChIKey
JUQCSRTXCUFNGJ-UHFFFAOYSA-NSynonyms
1282141-74-51282141745
CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)OCCCO3
CCOC(=O)c1csc(=NC(=O)c2ccc3c(c2)OCCCO3)(nH)1
ethyl(2Z)2((34dihydro2H15benzodioxepin7ylcarbonyl)imino)23dihydro13thiazole4carboxylate
ethyl2(34dihydro2H15benzodioxepine7carbonylamino)13thiazole4carboxylate
InChI=1SC16H16N2O5Sc122115(20)1192416(1711)1814(19)10451213(810)237362212h4589H2367H21H3(H171819)
MFCD20756832
ZINC000061722116
ZINC61722116
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