Vitas-M small molecule compound

3'-butyl 5'-(2-methoxyethyl) 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

Catalog ID
STL015982
SMILES CCCCOC(=O)C1=C(N)OC(=C(C21C(=O)Nc1c2cc(Br)cc1)C(=O)OCCOC)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 C22H25BrN2O7 MW 509.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN2O7/c1-4-5-8-30-20(27)17-18(24)32-12(2)16(19(26)31-10-9-29-3)22(17)14-11-13(23)6-7-15(14)25-21(22)28/h6-7,11H,4-5,8-10,24H2,1-3H3,(H,25,28)
InChIKey
ZOROAHKWATWFBN-UHFFFAOYSA-N
Synonyms

(S)3butyl5(2methoxyethyl)2amino5bromo6methyl2oxospiro(indoline34pyran)35dicarboxylate
3butyl5(2methoxyethyl)2amino5bromo6methyl2oxo12dihydrospiro(indole34pyran)35dicarboxylate
3OBUTYL5O(2METHOXYETHYL)2AMINO5BROMO6METHYL2OXOSPIRO(1HINDOLE34PYRAN)35DICARBOXYLATE
CCCCOC(=O)C1=C(N)OC(=C((C@@)21C(=O)Nc1c2cc(Br)cc1)C(=O)OCCOC)C
CCCCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)Br)NC2=O)C(=O)OCCOC)C)N
InChI=1SC22H25BrN2O7c14583020(27)1718(24)3212(2)16(19(26)31109293)22(17)141113(23)6715(14)2521(22)28h6711H4581024H213H3(H2528)
MFCD14710652
ZINC000002231497
ZINC000009695183

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Available files

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