Vitas-M small molecule compound

butyl 2-amino-5'-bromo-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate

Catalog ID
STL015978
SMILES CCCCOC(=O)C1=C(N)OC2=C(C31C(=O)Nc1c3cc(Br)cc1)C(=O)CCC2

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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 C21H21BrN2O5 MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O5/c1-2-3-9-28-19(26)17-18(23)29-15-6-4-5-14(25)16(15)21(17)12-10-11(22)7-8-13(12)24-20(21)27/h7-8,10H,2-6,9,23H2,1H3,(H,24,27)
InChIKey
WAUYHDCKRKPFQI-UHFFFAOYSA-N
Synonyms

(S)butyl2amino5bromo25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
butyl2amino5bromo25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
butyl2amino5bromo25dioxospiro(1Hindole3478dihydro6Hchromene)3carboxylate
CCCCOC(=O)C1=C(N)OC2=C((C@@)31C(=O)Nc1c3cc(Br)cc1)C(=O)CCC2
CCCCOC(=O)C1=C(OC2=C(C13C4=C(C=CC(=C4)Br)NC3=O)C(=O)CCC2)N
InChI=1SC21H21BrN2O5c12392819(26)1718(23)291564514(25)16(15)21(17)121011(22)7813(12)2420(21)27h7810H26923H21H3(H2427)
MFCD18186903
ZINC000009428594
ZINC000009695181

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Available files

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