Vitas-M small molecule compound
ethyl 2-chloro-5-(5-{(E)-[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)imino]methyl}furan-2-yl)benzoate
Catalog ID
STK264048
SMILES CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=N/N1C(=O)C2C(C1=O)C1C=CC2C2C1C2
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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 C25H21ClN2O5 MW 464.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5/c1-2-32-25(31)18-9-12(3-7-19(18)26)20-8-4-13(33-20)11-27-28-23(29)21-14-5-6-15(17-10-16(14)17)22(21)24(28)30/h3-9,11,14-17,21-22H,2,10H2,1H3/b27-11+InChIKey
XJWYJRIGKXLOAA-LUOAPIJWSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C6C5C6)Cl
CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
ETHYL2CHLORO5(5((E)((13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)IMINO)METHYL)FURAN2YL)BENZOATE
InChI=1SC25H21ClN2O5c123225(31)18912(3719(18)26)208413(3320)11272823(29)21145615(171016(14)17)22(21)24(28)30h391114172122H210H21H3b2711+
MFCD03555353
ZINC000245227040
ZINC000245227043
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