Vitas-M small molecule compound
butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
Catalog ID
STK074441
SMILES CCC(OC(=O)C1CC=CCC1C(=O)Nc1cccc(c1)Br)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 C18H22BrNO3 MW 380.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22BrNO3/c1-3-12(2)23-18(22)16-10-5-4-9-15(16)17(21)20-14-8-6-7-13(19)11-14/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,20,21)InChIKey
VGNAYAJWCDCBSH-UHFFFAOYSA-NSynonyms
(2R)BUTAN2YL(1S6S)6((3BROMOPHENYL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLATE
BUTAN2YL6((3BROMOPHENYL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLATE
CCC(C)OC(=O)C1CC=CCC1C(=O)NC2=CC(=CC=C2)Br
CCC(OC(=O)C1CC=CCC1C(=O)Nc1cccc(c1)Br)C
InChI=1SC18H22BrNO3c1312(2)2318(22)161054915(16)17(21)201486713(19)1114h4811121516H3910H212H3(H2021)
METHYLPROPYL6(N(3BROMOPHENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLATE
MFCD02018344
STK074441
ZINC000001085169
ZINC000245253960
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