Vitas-M small molecule compound
butan-2-yl (3aR,8bR)-10-amino-11-cyano-2-methyl-4-oxo-4H-8b,3a-(epoxyetheno)indeno[1,2-b]furan-3-carboxylate
Catalog ID
STK060968
SMILES CCC(OC(=O)C1=C(C)O[C@@]23[C@@]1(C(=C(O2)N)C#N)C(=O)c1c3cccc1)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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-4-10(2)25-18(24)15-11(3)26-20-13-8-6-5-7-12(13)16(23)19(15,20)14(9-21)17(22)27-20/h5-8,10H,4,22H2,1-3H3/t10?,19-,20-/m1/s1InChIKey
SCNMZPGXASVBBR-HJEUASMESA-NSynonyms
1OXO23(BIS(3OXA1PROPENO))2AMINO1CYANO1CARBOXY(2METHYLPROPANO)INDANE
BUTAN2YL(3AR8BR)10AMINO11CYANO2METHYL4OXO4H8B3A(EPOXYETHENO)INDENO(12B)FURAN3CARBOXYLATE
CCC(C)OC(=O)C1=C(OC23C1(C(=C(O2)N)C#N)C(=O)C4=CC=CC=C34)C
CCC(OC(=O)C1=C(C)O(C@@)23(C@@)1(C(=C(O2)N)C#N)C(=O)c1c3cccc1)C
InChI=1SC20H18N2O5c1410(2)2518(24)1511(3)262013865712(13)16(23)19(1520)14(921)17(22)2720h5810H422H213H3t10?1920m1s1
MFCD01874539
STK060968
ZINC000000781096
ZINC000001066413
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