Vitas-M small molecule compound
methyl 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzoate
Catalog ID
STK280754
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
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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 C19H16ClNO4 MW 357.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClNO4/c1-25-18(24)10-8-9(2-5-13(10)20)21-16(22)14-11-3-4-12(15(14)17(21)23)19(11)6-7-19/h2-5,8,11-12,14-15H,6-7H2,1H3InChIKey
ZMXYCMLPIJUOQE-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5)Cl
InChI=1SC19H16ClNO4c12518(24)1089(2513(10)20)2116(22)14113412(15(14)17(21)23)19(11)6719h25811121415H67H21H3
METHYL2CHLORO5((3AR4S7R7AS)13DIOXO133A477AHEXAHYDRO2HSPIRO(2AZA47METHANOISOINDOLE81CYCLOPROPAN)2YL)BENZOATE
methyl2chloro5(13dioxo133a477ahexahydro2Hspiro(2aza47methanoisoindole81cyclopropan)2yl)benzoate
MFCD02209031
ZINC000101357960
ZINC000101357966
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