Vitas-M small molecule compound
methyl (2Z)-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)imino]-5-(2-phenylethyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL243995
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cc2ccc3c(c2)OCCCO3)/sc1CCc1ccccc1
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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 C24H24N2O5S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S/c1-29-23(28)22-20(11-9-16-6-3-2-4-7-16)32-24(26-22)25-21(27)15-17-8-10-18-19(14-17)31-13-5-12-30-18/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3,(H,25,26,27)InChIKey
BDYWBUVGIIDYHB-UHFFFAOYSA-NSynonyms
1374539-41-91374539419
COC(=O)c1(nH)c(=NC(=O)Cc2ccc3c(c2)OCCCO3)sc1CCc1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)CC2=CC3=C(C=C2)OCCCO3)CCC4=CC=CC=C4
InChI=1SC24H24N2O5Sc12923(28)2220(119166324716)3224(2622)2521(27)15178101819(1417)31135123018h24681014H59111315H21H3(H252627)
methyl(2Z)2((34dihydro2H15benzodioxepin7ylacetyl)imino)5(2phenylethyl)23dihydro13thiazole4carboxylate
methyl2((2(34dihydro2H15benzodioxepin7yl)acetyl)amino)5(2phenylethyl)13thiazole4carboxylate
MFCD24859807
ZINC000072405538
ZINC72405538
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