Vitas-M small molecule compound

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

Catalog ID
STL005562
SMILES COCCOC(=O)C1=C(N)OC(=C(C21C(=O)Nc1c2cc(Br)cc1)C(=O)OCC=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 C21H21BrN2O7 MW 493.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O7/c1-4-7-29-18(25)15-11(2)31-17(23)16(19(26)30-9-8-28-3)21(15)13-10-12(22)5-6-14(13)24-20(21)27/h4-6,10H,1,7-9,23H2,2-3H3,(H,24,27)
InChIKey
NNVMKUXVKPFTKO-UHFFFAOYSA-N
Synonyms

(S)5allyl3(2methoxyethyl)2amino5bromo6methyl2oxospiro(indoline34pyran)35dicarboxylate
3(2methoxyethyl)5prop2en1yl2amino5bromo6methyl2oxo12dihydrospiro(indole34pyran)35dicarboxylate
3O(2METHOXYETHYL)5OPROP2ENYL2AMINO5BROMO6METHYL2OXOSPIRO(1HINDOLE34PYRAN)35DICARBOXYLATE
CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C(=O)OCCOC)C(=O)OCC=C
COCCOC(=O)C1=C(N)OC(=C((C@@)21C(=O)Nc1c2cc(Br)cc1)C(=O)OCC=C)C
InChI=1SC21H21BrN2O7c1472918(25)1511(2)3117(23)16(19(26)3098283)21(15)131012(22)5614(13)2420(21)27h4610H17923H223H3(H2427)
MFCD01789440
ZINC000009344630
ZINC000016033732

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Available files

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