Vitas-M small molecule compound
methyl (2Z)-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)imino]-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL315141
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2ccc3c(c2)OCCCO3)/sc1CC(C)C
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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 C19H22N2O5S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O5S/c1-11(2)9-15-16(18(23)24-3)20-19(27-15)21-17(22)12-5-6-13-14(10-12)26-8-4-7-25-13/h5-6,10-11H,4,7-9H2,1-3H3,(H,20,21,22)InChIKey
FOBSLSSORXLNOO-UHFFFAOYSA-NSynonyms
1574515-62-01574515620
CC(C)CC1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2ccc3c(c2)OCCCO3)sc1CC(C)C
InChI=1SC19H22N2O5Sc111(2)91516(18(23)243)2019(2715)2117(22)12561314(1012)268472513h561011H479H213H3(H202122)
methyl(2Z)2((34dihydro2H15benzodioxepin7ylcarbonyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2(34dihydro2H15benzodioxepine7carbonylamino)5(2methylpropyl)13thiazole4carboxylate
MFCD28027082
ZINC000095476852
ZINC95476852
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