Vitas-M small molecule compound
methyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STK729743
SMILES COC(=O)C1=C(C)OC(=C(C21C(=O)Nc1c2cc(Br)cc1)C#N)N
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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 C16H12BrN3O4 MW 390.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN3O4/c1-7-12(14(21)23-2)16(10(6-18)13(19)24-7)9-5-8(17)3-4-11(9)20-15(16)22/h3-5H,19H2,1-2H3,(H,20,22)InChIKey
CMGYXHVXLGDKEF-UHFFFAOYSA-NSynonyms
(R)methyl2amino5bromo3cyano6methyl2oxospiro(indoline34pyran)5carboxylate
CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C#N)C(=O)OC
COC(=O)C1=C(C)OC(=C((C@)21C(=O)Nc1c2cc(Br)cc1)C#N)N
InChI=1SC16H12BrN3O4c1712(14(21)232)16(10(618)13(19)247)958(17)3411(9)2015(16)22h35H19H212H3(H2022)
METHYL2AMINO5BROMO3CYANO6METHYL2OXO12DIHYDROSPIRO(INDOLE34PYRAN)5CARBOXYLATE
METHYL6AMINO11BROMO5CYANO2METHYL8OXOSPIRO(4HPYRAN43INDOLINE)3CARBOXYLATE
methyl6amino5bromo5cyano2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
METHYL6AMINO5BROMO5CYANO2METHYL2OXOSPIRO(1HINDOLE34PYRAN)3CARBOXYLATE
MFCD00747878
ZINC000000705587
ZINC000000705588
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