Vitas-M small molecule compound
propan-2-yl 2-methyl-5-{2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethoxy}-1-benzofuran-3-carboxylate
Catalog ID
STK540384
SMILES O=C(COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)N/N=C/c1cccs1
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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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-12(2)26-20(24)19-13(3)27-17-7-6-14(9-16(17)19)25-11-18(23)22-21-10-15-5-4-8-28-15/h4-10,12H,11H2,1-3H3,(H,22,23)/b21-10+InChIKey
WVNHPHDOIMOPIH-UFFVCSGVSA-NSynonyms
385424-60-2(E)isopropyl2methyl5(2oxo2(2(thiophen2ylmethylene)hydrazinyl)ethoxy)benzofuran3carboxylate
385424602
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)NN=CC3=CC=CS3)C(=O)OC(C)C
InChI=1SC20H20N2O5Sc112(2)2620(24)1913(3)27177614(916(17)19)251118(23)222110155482815h41012H11H213H3(H2223)b2110+
METHYLETHYL5((N((1E)2(2THIENYL)1AZAVINYL)CARBAMOYL)METHOXY)2METHYLBENZO(B)FURAN3CARBOXYLATE
MFCD03212523
O=C(COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)NN=Cc1cccs1
propan2yl2methyl5(2oxo2((2E)2(thiophen2ylmethylidene)hydrazinyl)ethoxy)1benzofuran3carboxylate
ZINC000001297178
ZINC33333578
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